SCHEMBL18181046

SCHEMBL18181046

Cc1cc(N(C)C(=O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)Oc2ccccc2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ BCHE P06276 4/20 0.37
▸ ACHE P22303 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ PYGL P06737 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL19999800 0.93 KDM1A (0.41) KDM1AMAOABCHEACHEGPBAR1
SCHEMBL18181100 0.90 KDM1A (0.42) KDM1AMAOABCHEACHEPYGL
SCHEMBL18181355 0.89 KDM1A (0.42) KDM1AMAOABCHEACHEPYGL
SCHEMBL18181041 0.87 CTSL (0.39) KDM1AMAOA
SCHEMBL21992131 0.87 CTSL (0.39) KDM1AMAOA
SCHEMBL18181147 0.86 CTSS (0.39) KDM1AMAOA
SCHEMBL21992621 0.86 CTSS (0.39) KDM1AMAOA
SCHEMBL19999799 0.85 KDM1A (0.40) KDM1AMAOABCHEACHEPYGL
SCHEMBL19999815 0.85 KDM1A (0.44) KDM1AMAOABCHEACHENPC1
SCHEMBL18181379 0.85 CTSS (0.44) KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 — — US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 — — US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 — — US disclosed
WO-2016172424-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-27 — — 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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H KDM1A 2550/4885MAOA 2941/4885BCHE 2690/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H KDM1A 2550/4885MAOA 2941/4885BCHE 2690/4885

“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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