SCHEMBL246633

SCHEMBL246633

Nc1nccc2cnccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.57
PLAU P00749 1/20 0.57
NCF1 P14598 1/20 0.57
NOS3 P29474 1/20 0.57
NOS1 P29475 1/20 0.57
NOS2 P35228 1/20 0.57
BACE1 P56817 1/20 0.57
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 1/20 0.51
IMPDH2 P12268 4/20 0.50
ROCK1 Q13464 2/20 0.47
KDM4E B2RXH2 2/20 0.44
MAPKAPK2 P49137 1/20 0.44
CLK1 P49759 4/20 0.43
CDK5 Q00535 1/20 0.43

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
SCHEMBL30692011 1.00 F12 (0.57) F12PLAUNCF1NOS3NOS1
SCHEMBL292215 0.84 F12 (0.59) F12PLAUNCF1NOS3NOS1
SCHEMBL29850085 0.84 F12 (0.59) F12PLAUNCF1NOS3NOS1
SCHEMBL29421593 0.76 NOS3 (0.54) F12PLAUNCF1NOS3NOS1
SCHEMBL3386889 0.74 IMPDH2 (0.50) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31401046 0.74 IMPDH2 (0.50) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2012410 0.74 KDM4E (0.44) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL245899 0.74 IMPDH2 (0.50) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL277425 0.74 KDM4E (0.53) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3856487 0.74 ROCK1 (0.61) F12PLAUNCF1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117224450-A Fennel face essence with good moisture retention and preparation method thereof 广州市玑蜜生物科技有限公司 2023-12-15 CN claimed
CN-116687802-A Mouthwash for oral cavity and tooth care and preparation method thereof 广州宏康医药科技有限公司 2023-09-05 CN claimed
EP-3317241-A2 THERAPEUTIC INHIBITORY COMPOUNDS Lifesci Pharmaceuticals, Inc. (BB) 2018-05-09 EP claimed
WO-2017001936-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2017-01-05 WO claimed
EP-2828262-A1 IMIDAZOTRIAZINONE COMPOUNDS Forum Pharmaceuticals Inc. (US) 2015-01-28 EP claimed
WO-2013142269-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2013-09-26 WO claimed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP claimed
EP-1622867-B1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-19 EP claimed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US claimed
US-20070179183-A1 N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists ALMIRALL, S.A. (ES) 2007-08-02 US claimed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
EP-1622867-A1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2006-02-08 EP claimed
WO-2004099126-A1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN α4 ANTAGONISTS ALMIRALL PRODESFARMA SA (ES) 2004-11-18 WO claimed
WO-2026083260-A1 (2,6-NAPHTHYRIDIN-1-YL)AMINE DERIVATIVES AS BFL-1 INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2026-04-23 WO disclosed
EP-4563571-A1 PRMT5 INHIBITORS Beijing Earthwise Technology Co., Ltd. (CN) 2025-06-04 EP disclosed
EP-4467199-A2 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2024-11-27 EP disclosed
US-4115395-A FUNGICIDES, BACTERICIDES SCHERING CORPORATION (US) 1978-09-19 US disclosed
US-4107166-A ANTIFUNGAL, ANTIBACTERIAL SCHERING CORPORATION (US) 1978-08-15 US disclosed
US-4017500-A FUNGICIDES, BACTERICIDES SCHERING CORPORATION (US) 1977-04-12 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-20070179183-A1 N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists ITGA4, ITGB4, ITGA2 F12 1263/4885PLAU 1453/4885NCF1 1830/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 F12 4856/4885PLAU 4746/4885NCF1 2397/4885

“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.