SCHEMBL2958472

SCHEMBL2958472

Cc1ccc2[nH]c(C)c(-c3ccnc4cccnc34)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
BCHE P06276 1/20 0.40
ALDH1A1 P00352 4/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
FLT3 P36888 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ACHE P22303 1/20 0.38
MAP3K14 Q99558 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37

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
SCHEMBL3042442 0.82 HTR1A (0.42) SMN1; SMN2BCHEALDH1A1GSK3AGSK3B
SCHEMBL2952908 0.79 PTGDR2 (0.51) BCHEALDH1A1GSK3AGSK3BFLT3
SCHEMBL317790 0.78 ACHE (0.40) SMN1; SMN2BCHEALDH1A1GSK3AGSK3B
Hydrochloric Acid SCHEMBL2952627 0.77 CYP2C9 (0.39) SMN1; SMN2BCHEALDH1A1GSK3AGSK3B
SCHEMBL317503 0.77 KIF11 (0.46) SMN1; SMN2BCHEALDH1A1CDK5CDK5R1
SCHEMBL317189 0.77 PTGDR2 (0.53) BCHEMAP3K14KDM4EGABRPGABRD
SCHEMBL317746 0.77 PTGDR2 (0.53) BCHEGSK3AGSK3BFLT3CDK5
SCHEMBL317371 0.77 PTGDR2 (0.52) SMN1; SMN2MAP3K14KDM4EMEN1KMT2A
SCHEMBL317661 0.75 PTGDR2 (0.54) BCHEKDM4EGABRPGABRDGABRA1
SCHEMBL2951882 0.74 KIF11 (0.49) SMN1; SMN2ALDH1A1CDK5CDK5R1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3813/4885BCHE 3189/4885ALDH1A1 298/4885
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 4517/4885BCHE 1457/4885ALDH1A1 533/4885

“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.