SCHEMBL1854564

SCHEMBL1854564

CC(=O)c1ccc(N)c(I)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.52
CREBBP Q92793 1/20 0.47
SLC6A3 Q01959 1/20 0.46
HDAC2 Q92769 2/20 0.43
MAPT P10636 5/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
CYP2A6 P11509 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL29659932 1.00 PRKCI (0.52) PRKCICREBBPSLC6A3HDAC2MAPT
SCHEMBL7109398 0.83 PRKCI (0.56) PRKCICREBBPHDAC2MAPTRAB9A
SCHEMBL1629983 0.81 PARP1 (0.50) SLC6A3MAPTCA12CA1CA2
SCHEMBL4801156 0.81 CDC25B (0.55) SLC6A3MAPTNPC1CA12CA1
SCHEMBL31495791 0.80 PRKCI (0.62) PRKCICREBBPHDAC2MAPTRAB9A
SCHEMBL3033312 0.80 MAPT (0.47) PRKCIMAPTRAB9ANPC1CA5A
SCHEMBL265937 0.80 PRKCI (0.62) PRKCICREBBPHDAC2MAPTRAB9A
SCHEMBL24312600 0.79 CA12 (0.42) PRKCISLC6A3MAPTCA12CA1
SCHEMBL7848851 0.79 PRKCI (0.52) PRKCICREBBPHDAC2MAPTRAB9A
SCHEMBL16283148 0.79 CA12 (0.42) SLC6A3MAPTCA12CA1CA2

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787783-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-10-17 US disclosed
US-11396503-B2 Sulfonyl substituted bicyclic compound which acts as ROR inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-07-26 US disclosed
US-11192859-B2 Quinoline compounds as modulators of RAGE activity and uses thereof UNIV NEW YORK (US) 2021-12-07 US disclosed
EP-3689860-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-08-05 EP disclosed
US-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-30 US disclosed
US-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-30 US disclosed
US-20190194136-A1 QUINOLINE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF UNIV NEW YORK (US) 2019-06-27 US disclosed
EP-2651888-B1 N-((1H-indol-3-yl)-alkyl)-4-benzyl)benzamide and N-((1H-pyrrolo[2,3-b]pyridin-3-yl)-alkyl)-4-benzyl)benzamide derivatives as alpha synuclein aggregation inhibitors for the treatment of neurodegenerative disorders UNIV LEUVEN KATH (BE) 2017-05-17 EP disclosed
US-9428478-B2 Piperazine derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2016-08-30 US disclosed
US-9428478-B2 Piperazine derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2016-08-30 US disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed
EP-0929533-A1 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME Du Pont Pharmaceuticals Company (US) 1999-07-21 EP disclosed
US-5874430-A COMPOUNDS AS PROTEASE, REVERSE TRANSCRIPTASE INHIBITORS FOR DIAGNOSIS DUPONT PHARMACEUTICALS COMPANY (US) 1999-02-23 US disclosed
WO-1998014436-A1 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-09 WO disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO disclosed
CN-1085556-A The 4-pyrimidyl and the pyridinyl derivatives of the indol-3-yl alkylpiperazine of anti-migraine BRISTOL MYERS SQUIBB CO (US) 1994-04-20 CN disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 EP 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-20200239454-A1 SULFONYL SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR RORC, RORA, RORB PRKCI 2487/4885CREBBP 124/4885SLC6A3 4636/4885
US-11787783-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE PRKCI 4748/4885CREBBP 4828/4885SLC6A3 1497/4885
US-20190194136-A1 QUINOLINE COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF AGER, HMGB1, GPR119 PRKCI 3270/4885CREBBP 968/4885SLC6A3 3542/4885
US-11396503-B2 Sulfonyl substituted bicyclic compound which acts as ROR inhibitor RORC, RORA, RORB PRKCI 2487/4885CREBBP 124/4885SLC6A3 4636/4885
US-11192859-B2 Quinoline compounds as modulators of RAGE activity and uses thereof AGER, HMGB1, GPR119 PRKCI 3270/4885CREBBP 968/4885SLC6A3 3542/4885

“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.