SCHEMBL18151670

SCHEMBL18151670

Cc1ccccc1-c1c(C#N)cccc1-n1cccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.40
LRRK2 Q5S007 1/20 0.37
MPO P05164 1/20 0.37
CRHR1 P34998 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.35
GRM5 P41594 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
AR P10275 1/20 0.34
KCNN4 O15554 1/20 0.34
FLT1 P17948 1/20 0.33

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
SCHEMBL18151672 0.81 TSHR (0.42) NPC1MAPK1TSHRLRRK2CYP1A2
SCHEMBL2170102 0.79 NPC1 (0.46) NPC1MAPK1TSHRMPOCRHR1
SCHEMBL29563253 0.78 NPC1 (0.51) NPC1MAPK1TSHRMPOKDM4E
SCHEMBL4219748 0.78 NPC1 (0.51) NPC1MAPK1TSHRMPOKDM4E
SCHEMBL4215654 0.77 NPC1 (0.50) NPC1MAPK1MPOKDM4ESMN1; SMN2
SCHEMBL15536685 0.76 TSHR (0.61) NPC1TSHRLRRK2SMN1; SMN2LMNA
SCHEMBL2170098 0.76 TSHR (0.44) NPC1MAPK1TSHRLRRK2MPO
SCHEMBL29417843 0.73 MAPK1 (0.56) NPC1MAPK1TSHRKDM4ESMN1; SMN2
SCHEMBL2454736 0.73 MAPK1 (0.56) NPC1MAPK1TSHRKDM4ESMN1; SMN2
SCHEMBL11281747 0.70 MAPK1 (0.53) NPC1MAPK1TSHRKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385051-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-08-20 US disclosed
US-20190055242-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2019-02-21 US disclosed
US-10131664-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2018-11-20 US disclosed
US-20180179204-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-06-28 US disclosed
US-9944636-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2018-04-17 US disclosed
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. 2016-10-20 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-20180179204-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A NPC1 4332/4885MAPK1 2360/4885TSHR 4456/4885
US-10131664-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A NPC1 4332/4885MAPK1 2360/4885TSHR 4456/4885
US-20190055242-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A NPC1 4332/4885MAPK1 2360/4885TSHR 4456/4885
US-20160304516-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A NPC1 4332/4885MAPK1 2360/4885TSHR 4456/4885
US-10385051-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A NPC1 4332/4885MAPK1 2360/4885TSHR 4456/4885

“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.