SCHEMBL10168066

SCHEMBL10168066

N=C(N)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
PRSS1 P07477 4/20 0.50
PRSS3 P35030 4/20 0.50
PRSS2 P07478 3/20 0.50
C1S P09871 3/20 0.50
TPMT P51580 1/20 0.46
TSHR P16473 1/20 0.44
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
F2 P00734 3/20 0.42
F10 P00742 2/20 0.42
F12 P00748 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
Hydrochloric Acid SCHEMBL629198 0.97 LMNA (0.58) LMNAPRSS1PRSS3PRSS2C1S
SCHEMBL17306879 0.84 C1S (0.50) LMNAPRSS1PRSS3PRSS2C1S
SCHEMBL3335604 0.84 LMNA (0.45) LMNAPRSS1PRSS3PRSS2C1S
SCHEMBL13948235 0.78 PRSS1 (0.63) LMNAPRSS1PRSS3PRSS2C1S
SCHEMBL12857372 0.76 MEN1 (0.51) LMNAPRSS1PRSS3PRSS2F2
SCHEMBL2202463 0.75 PARP1 (0.63) LMNAPRSS1PRSS3PRSS2C1S
Hydrochloric Acid SCHEMBL1436037 0.74 PRSS1 (0.61) LMNAPRSS1PRSS3PRSS2C1S
SCHEMBL30936046 0.74 HCAR2 (0.55) LMNAPRSS1PRSS3PRSS2C1S
SCHEMBL17191008 0.72 TPMT (0.46) LMNATPMTTSHRHTR3EHTR3B
SCHEMBL1219593 0.72 LMNA (0.95) LMNAPRSS1PRSS3PRSS2C1S

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380538-A1 NOVEL IMIDAZOLE COMPOUNDS, PROCESS FOR THE SYNTHESIS AND USES THEREOF AHAMMUNE BIOSCIENCES PRIVATE LTD (IN) 2021-12-09 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
EP-1534680-B1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PHARMACO INVESTMENTS INC (US) 2012-02-22 EP disclosed
CN-1713907-B N-substituted pyrrolidine derivatives as dipeptidyl peptidase IV inhibitors HOFFMANN LA ROCHE 2010-05-26 CN disclosed
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PHARMACEUTICAL PRODUCT DEVELOPMENT, INC. 2008-05-22 US disclosed
US-7166619-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY , INC. (US) 2007-01-23 US disclosed
CN-1713907-A N-substituted pyrrolidine derivatives as dipeptidyl peptidase IV inhibitors HOFFMANN LA ROCHE (CH) 2005-12-28 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 (3 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-20210380538-A1 NOVEL IMIDAZOLE COMPOUNDS, PROCESS FOR THE SYNTHESIS AND USES THEREOF IDO1, IDO2, NFATC1 LMNA 4399/4885PRSS1 2691/4885PRSS3 3751/4885
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 LMNA 319/4885PRSS1 3377/4885PRSS3 4148/4885
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE RCE1, GGPS1, FNTA LMNA 723/4885PRSS1 1927/4885PRSS3 3650/4885

“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.