SCHEMBL2554329

SCHEMBL2554329

O=[C]c1ccc(F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KAT2B Q92831 2/20 0.37
PIN1 Q13526 1/20 0.37
TSHR P16473 1/20 0.37
SOS1 Q07889 2/20 0.36
CA2 P00918 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
PTGS2 P35354 2/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL2552386 0.82 SLC2A1 (0.35) SLC2A1MAPTPTGS2PTGS1
SCHEMBL97003 0.78 GRM5 (0.46) KMT2ANPC1RAB9ASMN1; SMN2SOS1
SCHEMBL95410 0.78 MAPK1 (0.46) MEN1KMT2AHTTNPC1LMNA
SCHEMBL16960824 0.77 MEN1 (0.38) SLC2A1MEN1KMT2AHTTNPC1
SCHEMBL233380 0.77 VCAM1 (0.44) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL15094371 0.77 EGFR (0.49) SLC2A1MEN1KMT2AHTTNPC1
SCHEMBL31195830 0.77 VCAM1 (0.44) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL9996717 0.77 HTT (0.38) SLC2A1MEN1KMT2AHTTNPC1
SCHEMBL31308753 0.77 EGFR (0.49) SLC2A1MEN1KMT2AHTTNPC1
SCHEMBL102884 0.74 TRPV4 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
CN-106414480-A POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS 莫纳什大学 2017-02-15 CN claimed
EP-3126376-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS Monash University (AU) 2017-02-08 EP claimed
WO-2015149131-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2015-10-08 WO claimed
EP-0903334-B1 Halogenated aromatic derivatives and process for the preparation thereof MITENI SPA (IT) 2003-06-11 EP claimed
EP-0922693-B1 Process for the preparation of 3-chloro-4-fluorobenzoyl chloride CLARIANT GMBH (DE) 2001-10-24 EP claimed
US-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF UNIV KYOTO (JP) 2023-09-07 US disclosed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US disclosed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN disclosed
US-20200125564-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2020-04-23 US disclosed
US-20180265463-A1 Vitamin D3 Derivatives and Pharmaceutical Use Thereof KYOTO UNIVERSITY (JP) 2018-09-20 US disclosed
US-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2018-09-04 US disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
US-4874770-A Aryl-substituted (N-piperidinyl)methyl- and (N-piperidinyl) methylazoles having antipsychotic properties DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1989-10-17 US disclosed
US-4772604-A ANTIPSYCHOTIC AGENTS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1988-09-20 US 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 (5 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-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 SLC2A1 3600/4885MEN1 2632/4885KMT2A 2447/4885
US-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF VDR, CYP24A1, CYP2R1 SLC2A1 996/4885MEN1 1153/4885KMT2A 3128/4885
US-20180265463-A1 Vitamin D3 Derivatives and Pharmaceutical Use Thereof VDR, CYP24A1, CYP2R1 SLC2A1 996/4885MEN1 1153/4885KMT2A 3128/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 SLC2A1 1837/4885MEN1 2970/4885KMT2A 1395/4885
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC SLC2A1 3383/4885MEN1 4056/4885KMT2A 4378/4885

“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.