SCHEMBL15919059

SCHEMBL15919059

CCOC(=O)c1c(-c2ccc(I)cc2)nnn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
CYP1A2 P05177 4/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38

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
SCHEMBL28906195 0.86 CYP1A2 (0.49) GABRA2GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL14711408 0.86 HTT (0.49) GABRA2GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL20027814 0.86 SMN1; SMN2 (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL15897047 0.80 TPMT (0.37) NPC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL15897063 0.76 KMT2A (0.44) CYP1A2SMN1; SMN2MAPTLMNAUSP2
SCHEMBL10607787 0.73 CA1 (0.61) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL9881658 0.73 KMT2A (0.46) SMN1; SMN2MAPTLMNAUSP2TSHR
SCHEMBL14511339 0.71 TSHR (0.49) SMN1; SMN2MAPTLMNATSHRKMT2A
SCHEMBL15919060 0.71 HPGDS (0.46) GABRA2GABRB2CYP1A2SMN1; SMN2MAPT
SCHEMBL30282905 0.71 TP53 (0.49) SMN1; SMN2MAPTTSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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 (2 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 GABRA2 643/4885GABRB2 1412/4885CYP1A2 4548/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 GABRA2 643/4885GABRB2 1412/4885CYP1A2 4548/4885

“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.