SCHEMBL5608438

SCHEMBL5608438

NC1=CC=CN(Cc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
CTRC Q99895 1/20 0.34
MC4R P32245 1/20 0.34
HPGD P15428 1/20 0.34
DRD4 P21917 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2A P28223 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
TSHR P16473 1/20 0.33
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DHFR P00374 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL27558617 0.84 TAAR1 (0.38) SIGMAR1SMN1; SMN2TAAR1TSHRKDM4E
SCHEMBL17126135 0.79 LMNA (0.41) SIGMAR1F2PLGELANECTSG
SCHEMBL4726227 0.79 SIGMAR1 (0.39) SIGMAR1DRD4SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL29014006 0.77 SIGMAR1 (0.38) SIGMAR1DRD4LMNAPOLB
SCHEMBL2353804 0.76 PARP1 (0.40)
Methyl Alcohol SCHEMBL6663996 0.75 SIGMAR1 (0.36) SIGMAR1MC4RHPGDLMNAPOLB
SCHEMBL2805436 0.75 CCR2 (0.39) SIGMAR1HPGDSMN1; SMN2TSHRLMNA
Bromide SCHEMBL6664000 0.75 TSHR (0.36) SIGMAR1F2PLGELANECTSG
SCHEMBL28660786 0.72 POLB (0.39) SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL27814642 0.72 LMNA (0.43) SMN1; SMN2TSHRLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113840885-B Antifouling coating composition 日东化成株式会社 2022-11-15 CN disclosed
EP-3978575-A1 ANTIFOULING COATING COMPOSITION Nitto Kasei Co., Ltd. (JP) 2022-04-06 EP disclosed
CN-113840885-A Antifouling coating composition 日东化成株式会社 2021-12-24 CN disclosed
WO-2020241542-A1 ANTIFOULING COATING COMPOSITION 日東化成株式会社 2020-12-03 WO disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
EP-1097158-B1 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INST TECHNOLOGY (US) 2006-01-25 EP disclosed
US-6693123-B2 (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA UNIVERSITY OF PITTSBURGH 2004-02-17 US disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
US-20020193596-A1 Inhibitors of protein isoprenyl transferases UNIVERSITY OF PITTSBURGH (US) 2002-12-19 US disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO 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 (1 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-20020193596-A1 Inhibitors of protein isoprenyl transferases LANCL1, FNTB, DHCR7 SIGMAR1 1943/4885F2 4217/4885PLG 4532/4885

“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.