SCHEMBL317569

SCHEMBL317569

Cc1ccc2[nH]c(C)c(-c3cc(C)nc4c(Br)cccc34)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
FLT3 P36888 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
PTGS2 P35354 2/20 0.36
LMNA P02545 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL317230 0.88 MEN1 (0.44) MAPTCYP1A2CYP2C9SMN1; SMN2FLT3
SCHEMBL317631 0.83 MEN1 (0.44) MAPTGAACYP1A2CYP2C9SMN1; SMN2
SCHEMBL2952908 0.73 PTGDR2 (0.51) MAPTCYP2C9FLT3GSK3AGSK3B
SCHEMBL317189 0.72 PTGDR2 (0.53) CYP2C9PTGS2LMNAGABRPGABRD
SCHEMBL317746 0.72 PTGDR2 (0.53) CYP2C9FLT3GSK3AGSK3BCDK5
SCHEMBL317203 0.70 MEN1 (0.53) MAPTMEN1KMT2APOLBLMNA
SCHEMBL317661 0.70 PTGDR2 (0.54) CYP2C9PTGS2GABRPGABRDGABRA1
SCHEMBL318108 0.69 PTGDR2 (0.73) CYP2C9PTGS2
SCHEMBL317489 0.68 AR (0.45) MAPTCYP1A2CYP2C9SMN1; SMN2MEN1
SCHEMBL2284354 0.67 KDM4E (0.62) MAPTGAACYP1A2SMN1; SMN2MEN1

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 MAPT 2642/4885GAA 4114/4885CYP1A2 45/4885
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 MAPT 4719/4885GAA 3298/4885CYP1A2 1386/4885

“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.