Sugi Predict

Sugi Predict / Compounds / SCHEMBL164441

SCHEMBL164441

SCHEMBL164441

CC(Cc1ccc(Br)cc1)NC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.63
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ KMT2A Q03164 4/20 0.50
▸ SIGMAR1 Q99720 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL23275246 1.00 ACACB (0.63) ACACBNPC1RAB9AKMT2ASIGMAR1
SCHEMBL27922372 0.86 ACACB (0.82) ACACB
SCHEMBL166099 0.86 ACACB (0.82) ACACB
SCHEMBL23748758 0.86 ACACB (0.82) ACACB
SCHEMBL256081 0.84 ACACB (0.61) ACACBNPC1RAB9AKMT2ASIGMAR1
SCHEMBL11689625 0.84 NPC1 (0.58) ACACBNPC1RAB9ASIGMAR1LMNA
SCHEMBL8729705 0.84 NPC1 (0.58) ACACBNPC1RAB9ASIGMAR1LMNA
SCHEMBL24609344 0.83 NPC1 (0.79) NPC1RAB9AKMT2ASIGMAR1MEN1
SCHEMBL2543698 0.83 NPC1 (0.79) NPC1RAB9AKMT2ASIGMAR1MEN1
SCHEMBL13243495 0.83 ACACB (0.60) ACACBNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591326-B2 Inhibitors of protein arginine methyltransferase 5 (PRMT5), pharmaceutical products thereof, and methods thereof PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2023-02-28 — — US disclosed
US-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY 2022-12-29 — — US disclosed
WO-2021081528-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2021-04-29 — — WO disclosed
EP-3761978-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2021-01-13 — — EP disclosed
US-20200399261-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2020-12-24 — — US disclosed
CN-107108672-B Condensed five rings imdazole derivatives UCB生物制药私人有限公司 2019-11-08 — — CN disclosed
WO-2019173804-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING), INC. (CN) 2019-09-12 — — WO disclosed
CN-107108672-A The five rings imdazole derivatives of fusion UCB生物制药私人有限公司 2017-08-29 — — CN disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 — — EP disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 — — US disclosed
EP-2611771-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2013-07-10 — — EP disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 — — US disclosed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 — — EP disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 — — WO disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 — — 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 (5 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-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NOS3, NOS1, NOS2 ACACB 616/4885NPC1 451/4885RAB9A 2333/4885
US-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 ACACB 2512/4885NPC1 1191/4885RAB9A 1571/4885
US-11591326-B2 Inhibitors of protein arginine methyltransferase 5 (PRMT5), pharmaceutical products thereof, and methods thereof PRMT5, PRMT1, PRMT3 ACACB 3678/4885NPC1 3178/4885RAB9A 1971/4885
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885NPC1 139/4885RAB9A 2480/4885
US-20200399261-A1 INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PRMT5, PRMT1, PRMT3 ACACB 3678/4885NPC1 3178/4885RAB9A 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.