SCHEMBL102804

SCHEMBL102804

CCc1cccc(Cl)c1N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.46
GABRA1 P14867 4/20 0.44
GABRB2 P47870 4/20 0.44
TAAR1 Q96RJ0 2/20 0.42
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 3/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL30962862 1.00 PNMT (0.46) PNMTGABRA1GABRB2TAAR1ALDH1A1
Hydrochloric Acid SCHEMBL11833876 0.98 PNMT (0.45) PNMTGABRA1GABRB2TAAR1ALDH1A1
SCHEMBL1332031 0.83 GABRA1 (0.55) GABRA1GABRB2ALDH1A1GAA
SCHEMBL262868 0.83 GABRA1 (0.55) GABRA1GABRB2ALDH1A1GAA
SCHEMBL3786637 0.83 TAAR1 (0.44) PNMTTAAR1ALDH1A1IDO1MEN1
SCHEMBL7795555 0.82 PNMT (0.38) PNMTGABRA1GABRB2TAAR1IDO1
SCHEMBL3675893 0.81 PNMT (0.50) PNMTTAAR1ALDH1A1IDO1
SCHEMBL30303201 0.81 GABRA1 (0.48) PNMTGABRA1GABRB2ALDH1A1CSNK2A2
Methylene Chloride SCHEMBL27741172 0.81 GABRA1 (0.48) PNMTGABRA1GABRB2ALDH1A1CSNK2A2
Hydrochloric Acid SCHEMBL625383 0.80 GABRA1 (0.52) GABRA1GABRB2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171588-A1 Chain-lengthening or cross-linking agent LONZA AG (CH) 1986-02-19 EP claimed
EP-4642767-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS Acrivon Therapeutics, Inc. (US) 2025-11-05 EP disclosed
US-20250223263-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2025-07-10 US disclosed
US-12247011-B2 Selective inhibitors of NLRP3 inflammasome NodThera Limited (GB) 2025-03-11 US disclosed
US-RE50082-E1 (5,6-dihydro)pyrimido[4,5-e]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-20 US disclosed
WO-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
CN-111356680-B Selective inhibitors of NLRP3 inflammasome 诺瑟拉有限公司 2023-11-28 CN disclosed
EP-3661921-B1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NODTHERA LTD (GB) 2023-10-18 EP disclosed
US-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF Suzhou Puhe BioPharma Co., Ltd. (CN) 2023-01-12 US disclosed
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 US disclosed
US-4978791-A CROSSLINKING OR CHAIN EXTENSION AGENTS FOR POLYURETHANES OR EPOXY RESINS LONZA LTD. (CH) 1990-12-18 US disclosed
EP-0171588-B1 CHAIN-LENGTHENING OR CROSS-LINKING AGENT LONZA AG (CH) 1990-09-26 EP disclosed
EP-0171588-A1 Chain-lengthening or cross-linking agent LONZA AG (CH) 1986-02-19 EP disclosed
US-4418209-A ANTIULCER, ANTIARRYTHMIC, ANTIDIARRHEAL, ANTISPASMODIC, ANTIPARASITIC, AND ANTISECRETORY AGENTS WILLIAM H. RORER, INC. (US) 1983-11-29 US disclosed
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4178387-A ADMINISTERING AMIDINOUREAS WILLIAM H. RORER, INC. (US) 1979-12-11 US disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed
US-3959488-A 1-Substituted biguanides for treating hyperacidity or ulceration WILLIAM H. RORER, INC. (US) 1976-05-25 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 (4 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-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 PNMT 4648/4885GABRA1 3604/4885GABRB2 3264/4885
US-12247011-B2 Selective inhibitors of NLRP3 inflammasome NLRP3, NOD1, NLRP1 PNMT 4879/4885GABRA1 2922/4885GABRB2 2882/4885
US-20250223263-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NLRP3, NOD1, NLRP1 PNMT 4879/4885GABRA1 2922/4885GABRB2 2882/4885
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 PNMT 1048/4885GABRA1 1989/4885GABRB2 2620/4885

“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.