Sugi Predict

Sugi Predict / Compounds / SCHEMBL2961014

SCHEMBL2961014

SCHEMBL2961014

Cc1[nH]c2cccc(C)c2c1-c1nsc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ GABRA4 P48169 2/20 0.39
▸ GABRE P78334 2/20 0.39
▸ GABRA6 Q16445 2/20 0.39
▸ GABRG1 Q8N1C3 2/20 0.39
▸ GABRG3 Q99928 2/20 0.39
▸ GABRQ Q9UN88 2/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ MEN1 O00255 3/20 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
SCHEMBL317690 0.81 SMN1; SMN2 (0.35) IMPDH2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL2954875 0.76 GPR84 (0.44) IMPDH2MEN1KMT2AMAPTALDH1A1
SCHEMBL317502 0.76 MEN1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2961511 0.74 HTR7 (0.43) IMPDH2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL3980764 0.72 CYP1A2 (0.46) IMPDH2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL2959702 0.71 KIF11 (0.48) CYP1A2CYP2C9MEN1KMT2AKDM4E
SCHEMBL317570 0.69 EPAS1 (0.34) MAPTALDH1A1KDM4EHSD17B10
SCHEMBL30987223 0.68 MAPT (0.60) MAPTALDH1A1KDM4EHSD17B10
SCHEMBL28563540 0.68 MAPT (0.60) MAPTALDH1A1KDM4EHSD17B10
SCHEMBL30573128 0.65 MEN1 (0.62) GABRPGABRDGABRA1GABRB1GABRG2

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 GABRP 2130/4885GABRD 3555/4885GABRA1 1789/4885
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 GABRP 840/4885GABRD 858/4885GABRA1 755/4885

“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.