SCHEMBL1896254

SCHEMBL1896254

c1ccc(-c2nc3cccc(NC4CCCC4)c3[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 3/20 0.49
▸ PDE5A O76074 2/20 0.49
▸ GAA P10253 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ GBA1 P04062 5/20 0.43
▸ CDC7 O00311 1/20 0.42
▸ DBF4 Q9UBU7 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GRIN2B Q13224 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ TNKS O95271 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40

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
SCHEMBL1898934 0.88 JAK2 (0.48) ACP1PDE5AGAANPC1RAB9A
SCHEMBL1903805 0.84 PDE1A (0.44) GAANPC1RAB9AGBA1TNKS
SCHEMBL1896774 0.82 METAP2 (0.48) GAANPC1RAB9AKDM4EMAPT
SCHEMBL15606197 0.70 PRSS12 (0.49) ACP1NPC1RAB9A
SCHEMBL27761849 0.70 NPC1 (0.56) GAANPC1RAB9AKDM4EMAPT
SCHEMBL5939 0.68 NPC1 (0.55) GAANPC1RAB9AKDM4EMAPT
SCHEMBL6368201 0.68 NPC1 (0.55) GAANPC1RAB9AKDM4EMAPT
SCHEMBL56854 0.68 RAB9A (0.55) GAANPC1RAB9AKDM4EMAPT
SCHEMBL1895948 0.68 NPC1 (0.55) GAANPC1RAB9AKDM4EMAPT
SCHEMBL18300831 0.68 NPC1 (0.55) GAANPC1RAB9AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493469-A2 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG Life Sciences Ltd (KR) 2012-09-05 — — EP claimed
US-20120214804-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG CHEM, LTD. (KR) 2012-08-23 — — US claimed
CN-102596198-A Pharmaceutical composition comprising indole compound LG LIFE SCIENCES LTD 2012-07-18 — — CN claimed
WO-2011052950-A2 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-05-05 — — WO claimed
US-10322135-B2 Pharmaceutical composition comprising indole compound LG CHEM, LTD. (KR) 2019-06-18 — — US disclosed
US-20170165272-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG LIFE SCIENCES LTD. (KR) 2017-06-15 — — US disclosed
EP-2493469-A2 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG Life Sciences Ltd (KR) 2012-09-05 — — EP disclosed
US-20120214804-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG CHEM, LTD. (KR) 2012-08-23 — — US disclosed
CN-102596198-A Pharmaceutical composition comprising indole compound LG LIFE SCIENCES LTD 2012-07-18 — — CN disclosed
WO-2011052950-A2 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-05-05 — — 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 (3 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-20120214804-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND IDO1, IDO2, AIFM1 ACP1 4666/4885PDE5A 870/4885GAA 1040/4885
US-10322135-B2 Pharmaceutical composition comprising indole compound IDO1, IDO2, AIFM1 ACP1 4666/4885PDE5A 870/4885GAA 1040/4885
US-20170165272-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND TFAM, IDO1, AIFM1 ACP1 4463/4885PDE5A 1302/4885GAA 1035/4885

“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.

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