SCHEMBL20788451

SCHEMBL20788451

CC(C)(O)CNC(=O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGG1 O15527 1/20 0.53
▸ NAMPT P43490 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HDAC3 O15379 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ FPR2 P25090 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45

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
SCHEMBL12301890 0.84 NPC1 (0.57) NAMPTALDH1A1NPC1RAB9AHPGD
SCHEMBL21590340 0.81 PRSS1 (0.65) NAMPTALDH1A1NPC1RAB9AHPGD
SCHEMBL21198695 0.80 OGG1 (0.55) OGG1ALDH1A1NPC1RAB9AHPGD
SCHEMBL2248362 0.79 NAMPT (0.48) NAMPTRAB9AHDAC3KMT2AMEN1
SCHEMBL20804023 0.79 RAB9A (0.55) NAMPTALDH1A1NPC1RAB9AHPGD
SCHEMBL16738817 0.79 TRPV1 (0.53) NAMPTPRSS1CTSGCTRB1CMA1
SCHEMBL17796689 0.79 GABRA5 (0.46) NAMPTHDAC1HDAC6CFTR
SCHEMBL12553725 0.79 CNR2 (0.47) NAMPTALDH1A1HPGDHDAC6CFTR
SCHEMBL30572070 0.78 KMT2A (0.56) OGG1ALDH1A1NPC1RAB9AHPGD
SCHEMBL4764424 0.77 OGG1 (0.61) OGG1ALDH1A1NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681883-B1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2024-02-21 — — EP disclosed
CN-111094278-B Diphenyl derivative and use thereof 诺华股份有限公司 2023-07-14 — — CN disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 — — CN disclosed
EP-3681883-A1 DIPHENYL DERIVATIVES AND USES THEREOF Novartis AG (CH) 2020-07-22 — — EP disclosed
CN-111094278-A Diphenyl derivatives and their use 诺华股份有限公司 2020-05-01 — — CN disclosed
US-10633350-B2 Diphenyl derivatives and uses thereof NOVARTIS AG (CH) 2020-04-28 — — US disclosed
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 — — WO disclosed
WO-2019053090-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-03-21 — — WO disclosed
US-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-03-14 — — 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-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF MYOF, NGF, MUSK OGG1 456/4885NAMPT 2757/4885ALDH1A1 921/4885
US-10633350-B2 Diphenyl derivatives and uses thereof MYOF, NGF, MUSK OGG1 456/4885NAMPT 2757/4885ALDH1A1 921/4885

“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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