SCHEMBL317690

SCHEMBL317690

Cc1[nH]c2ccc(F)c(C)c2c1-c1nsc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
AHR P35869 1/20 0.33
IMPDH2 P12268 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
EIF2AK2 P19525 1/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPAS1 Q99814 2/20 0.32
ATP4A P20648 2/20 0.31
ATP4B P51164 2/20 0.31
CCR6 P51684 1/20 0.31
HKDC1 Q2TB90 1/20 0.31

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
SCHEMBL2961014 0.81 GABRP (0.39) CYP1A2CYP2C9AHRIMPDH2MEN1
SCHEMBL317570 0.79 EPAS1 (0.34) MAPTALDH1A1KDM4EHSD17B10EPAS1
SCHEMBL2961511 0.79 HTR7 (0.43) SMN1; SMN2CYP1A2CYP2C9IMPDH2MEN1
SCHEMBL317502 0.75 MEN1 (0.42) CYP1A2CYP2C9IMPDH2MEN1KMT2A
SCHEMBL2959702 0.73 KIF11 (0.48) CYP1A2CYP2C9MEN1KMT2AKDM4E
SCHEMBL3980764 0.72 CYP1A2 (0.46) SMN1; SMN2CYP1A2CYP2C9AHRIMPDH2
SCHEMBL6246287 0.68 KDM4E (0.33) MAPTALDH1A1KDM4EHSD17B10EPAS1
SCHEMBL30987223 0.65 MAPT (0.60) SMN1; SMN2MAPTALDH1A1KDM4EHSD17B10
SCHEMBL28563540 0.65 MAPT (0.60) SMN1; SMN2MAPTALDH1A1KDM4EHSD17B10
SCHEMBL11359600 0.61 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 SMN1; SMN2 3813/4885CYP1A2 45/4885CYP2C9 378/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 SMN1; SMN2 4517/4885CYP1A2 1386/4885CYP2C9 3502/4885

“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.