SCHEMBL1896774

SCHEMBL1896774

c1ccc(-c2nc3cccc(NC4CCCC4)c3[nH]2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 7/20 0.48
▸ METAP1 P53582 7/20 0.48
▸ LMNA P02545 4/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ PKM P14618 2/20 0.48
▸ MTOR P42345 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TRPM8 Q7Z2W7 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ SLC2A1 P11166 1/20 0.44

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
SCHEMBL1896254 0.82 ACP1 (0.49) NPC1RAB9AGAAKDM4EMAPT
SCHEMBL3006354 0.78 GPR39 (0.45) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL27837532 0.74 METAP2 (0.63) METAP2METAP1LMNANPC1RAB9A
SCHEMBL1898934 0.72 JAK2 (0.48) NPC1RAB9AGAAMAPK1
SCHEMBL28971995 0.68 METAP2 (0.48) METAP2METAP1LMNANPC1RAB9A
SCHEMBL28972043 0.68 METAP2 (0.48) METAP2METAP1LMNANPC1RAB9A
SCHEMBL28971994 0.68 METAP2 (0.48) METAP2METAP1LMNANPC1RAB9A
SCHEMBL28967166 0.68 METAP2 (0.48) METAP2METAP1LMNANPC1RAB9A
SCHEMBL28971964 0.68 METAP2 (0.48) METAP2METAP1LMNANPC1RAB9A
SCHEMBL3007498 0.68 ALDH1A1 (0.46) LMNANPC1RAB9ASMN1; SMN2HPGD

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 8 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
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
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 METAP2 3234/4885METAP1 2823/4885LMNA 2337/4885
US-10322135-B2 Pharmaceutical composition comprising indole compound IDO1, IDO2, AIFM1 METAP2 3234/4885METAP1 2823/4885LMNA 2337/4885
US-20170165272-A1 PHARMACEUTICAL COMPOSITION COMPRISING INDOLE COMPOUND TFAM, IDO1, AIFM1 METAP2 3238/4885METAP1 2880/4885LMNA 1971/4885

“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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