SCHEMBL182108

SCHEMBL182108

Clc1ccc(-n2cc(Br)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
MAP4K4 O95819 1/20 0.46
DRD4 P21917 7/20 0.46
HTR2C P28335 6/20 0.46
NOTUM Q6P988 4/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
F2 P00734 1/20 0.41
MTOR P42345 1/20 0.40
RPTOR Q8N122 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15008954 0.80 MEN1 (0.47) MEN1KMT2APKMDRD4NOTUM
SCHEMBL671957 0.80 ELANE (0.49) MEN1KMT2APKMNOTUMMAPT
SCHEMBL6274846 0.80 MAP4K4 (0.43) MEN1KMT2APKMMAP4K4DRD4
SCHEMBL6360678 0.80 KMT2A (0.47) MEN1KMT2APKMMAP4K4DRD4
SCHEMBL21753326 0.79 KMT2A (0.43) MEN1KMT2APKMDRD4HTR2C
SCHEMBL152495 0.79 GAA (0.59) MEN1KMT2APKMDRD4HTR2C
SCHEMBL31517431 0.79 KCNH2 (0.42) MEN1KMT2APKMMAPTALDH1A1
SCHEMBL672983 0.78 NOTUM (0.47) MEN1KMT2APKMNOTUMMAPT
SCHEMBL30782532 0.78 NOTUM (0.47) MEN1KMT2APKMNOTUMMAPT
SCHEMBL16698011 0.78 MEN1 (0.59) MEN1KMT2APKMMAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365553-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-11-16 US disclosed
US-20230365553-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-11-16 US disclosed
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
CN-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 CN disclosed
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed
US-20230083885-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2023-03-16 US disclosed
WO-2022212902-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. (US) 2022-10-06 WO disclosed
WO-2022036188-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2022-02-17 WO disclosed
US-20160007605-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2016-01-14 US disclosed
US-9173401-B2 N-,C-disubstituted azoles and compositions and methods for controlling nematode pests MONSANTO TECHNOLOGY LLC (US) 2015-11-03 US disclosed
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
US-20140274689-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS MONSANTO TECHNOLOGY LLC (US) 2014-09-18 US disclosed
EP-2402323-A2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2012-01-04 EP disclosed
EP-2363129-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-09-07 EP disclosed
EP-2316452-A1 Pyrrol derivatives, uses thereof PTC Therapeutics, Inc. (US) 2011-05-04 EP disclosed
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. 2008-11-13 US disclosed
CN-101076332-A Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC THERAPEUTICS INC (US) 2007-11-21 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160007605-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS CYCS, DNPH1, DDT MEN1 2500/4885KMT2A 1551/4885PKM 3900/4885
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HIF1AN, EGLN3, PHF20 MEN1 4845/4885KMT2A 868/4885PKM 1053/4885
US-20140274689-A1 N-,C-DISUBSTITUTED AZOLES AND COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODE PESTS CYCS, DNPH1, DDT MEN1 2500/4885KMT2A 1551/4885PKM 3900/4885
US-20230083885-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, ATF1, DDIT3 MEN1 4499/4885KMT2A 4558/4885PKM 786/4885
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, RNMT, VHL MEN1 3684/4885KMT2A 1501/4885PKM 461/4885
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL MEN1 3684/4885KMT2A 1501/4885PKM 461/4885
US-20230365553-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 MEN1 2199/4885KMT2A 3772/4885PKM 3505/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.