SCHEMBL317502

SCHEMBL317502

Cc1ccc2[nH]c(C)c(-c3nsc4ccccc34)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
PTGS2 P35354 2/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
KIF11 P52732 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL2961511 0.87 HTR7 (0.43) MEN1KMT2ACYP1A2CYP2C9PTGS2
SCHEMBL2959702 0.84 KIF11 (0.48) MEN1KMT2ACYP1A2CYP2C9KDM4E
SCHEMBL3980764 0.77 CYP1A2 (0.46) MEN1KMT2ACYP1A2CYP2C9MAPT
SCHEMBL317690 0.75 SMN1; SMN2 (0.35) MEN1KMT2ACYP1A2CYP2C9MAPT
SCHEMBL1757957 0.73 LMNA (0.44) MEN1KMT2ANPC1POLBCYP1A2
SCHEMBL317296 0.73 BCHE (0.50) MEN1KMT2ANPC1POLBCYP1A2
SCHEMBL3981072 0.71 KDM4E (0.65) MEN1KMT2ANPC1POLBCYP1A2
SCHEMBL11352516 0.71 MAPT (0.41) MEN1KMT2ANPC1POLBMAPT
SCHEMBL11359600 0.70 ALDH1A1 (0.46) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL8011756 0.69 ALDH1A1 (0.42) MEN1KMT2ANPC1POLBMAPT

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-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
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 WO 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 MEN1 2839/4885KMT2A 2018/4885NPC1 1475/4885
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 MEN1 4579/4885KMT2A 3666/4885NPC1 3934/4885

“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.