SCHEMBL892690

SCHEMBL892690

CCCCC1CCCNC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
HRH3 Q9Y5N1 3/20 0.47
HRH4 Q9H3N8 2/20 0.42
KMT2A Q03164 1/20 0.41
NAAA Q02083 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
EED O75530 1/20 0.36
HTR2A P28223 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ACP1 P24666 4/20 0.36
BACE1 P56817 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL4424141 0.98 CYP1A2 (0.54) CYP1A2HRH3HRH4KMT2ANAAA
SCHEMBL14368874 0.94 CYP1A2 (0.48) CYP1A2HRH3HRH4KMT2ANAAA
SCHEMBL902268 0.94 CYP1A2 (0.48) CYP1A2HRH3HRH4KMT2ANAAA
SCHEMBL14368866 0.94 CYP1A2 (0.48) CYP1A2HRH3HRH4KMT2ANAAA
Propane SCHEMBL11130919 0.92 CYP1A2 (0.47) CYP1A2HRH3HRH4KMT2ANAAA
SCHEMBL19578854 0.92 CYP1A2 (0.47) CYP1A2HRH3HRH4KMT2ANAAA
Hydrochloric Acid SCHEMBL4422978 0.92 CYP1A2 (0.47) CYP1A2HRH3HRH4KMT2ANAAA
SCHEMBL7593657 0.92 CYP1A2 (0.47) CYP1A2HRH3HRH4KMT2ANAAA
SCHEMBL22857512 0.92 CYP1A2 (0.47) CYP1A2HRH3HRH4KMT2ANAAA
Hydrochloric Acid SCHEMBL4426631 0.92 CYP1A2 (0.47) CYP1A2HRH3HRH4KMT2ANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119799167-A Chemical mechanical polishing liquid for silicon wafer, preparation method and application 万华化学集团股份有限公司 2025-04-11 CN claimed
WO-2013177292-A1 TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
WO-2013177284-A1 HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
WO-2013177269-A2 ZIRCONIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
US-5574037-A MODULATED BY SINO-ATRIAL NODE, ANTIISCHEMIC AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-11-12 US claimed
US-5484949-A Method for the synthesis of α β-unsaturated ketones NIPPON SODA CO., LTD. (JP) 1996-01-16 US claimed
EP-0431856-B1 Heterocyclic compounds ZENECA LTD (GB) 1995-07-12 EP claimed
EP-0431856-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1991-06-12 EP claimed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US claimed
CN-119799167-A Chemical mechanical polishing liquid for silicon wafer, preparation method and application 万华化学集团股份有限公司 2025-04-11 CN disclosed
US-12030897-B2 Pyrrolo[2,1-f][1,2,4]triazine derivatives serving as selective HER2 inhibitors and application thereof MEDSHINE DISCOVERY INC. (CN) 2024-07-09 US disclosed
US-20240083895-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2024-03-14 US disclosed
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-13 US disclosed
US-11618749-B2 Compounds and compositions for treating conditions associated with STING activity IFM DUE, INC. (US) 2023-04-04 US disclosed
EP-0431856-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1991-06-12 EP disclosed
WO-1991007370-A1 A METHOD FOR THE SYNTHESIS OF α, β-UNSATURATED KETONES NIPPON SODA CO., LTD. (JP) 1991-05-30 WO disclosed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US disclosed
EP-0328020-A2 Use of a catalyst in epoxy compositions THE DOW CHEMICAL COMPANY (US) 1989-08-16 EP disclosed
US-3998808-A INSECTICIDES, FUNGICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-12-21 US disclosed
US-3947459-A FROM ALKALI SALT OF MERCAPTOTHIAZOLES, AMINES AND BLEACH THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-03-30 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-12030897-B2 Pyrrolo[2,1-f][1,2,4]triazine derivatives serving as selective HER2 inhibitors and application thereof ERBB2, EGFR, ERBB3 CYP1A2 1057/4885HRH3 1455/4885HRH4 654/4885
US-11618749-B2 Compounds and compositions for treating conditions associated with STING activity STING1, IRF3, CGAS CYP1A2 4407/4885HRH3 1895/4885HRH4 2306/4885
US-20240083895-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CYP1A2 4719/4885HRH3 1666/4885HRH4 2161/4885
US-20230218597-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A CYP1A2 3997/4885HRH3 970/4885HRH4 686/4885

“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.