SCHEMBL480866

SCHEMBL480866

C=CCNC(=O)c1[c]cccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
TP53 P04637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C9 P11712 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
SCHEMBL97054 0.77 KMT2A (0.43) HPGDALDH1A1LMNAMAPTL3MBTL1
SCHEMBL1900364 0.76 KMT2A (0.54) HPGDLMNASMN1; SMN2TP53L3MBTL1
SCHEMBL7301446 0.76 MME (0.44) HPGDALDH1A1MAPTPOLB
SCHEMBL1416028 0.76 ALDH1A1 (0.45) HPGDALDH1A1LMNAMAPTPOLB
SCHEMBL11575708 0.75 SMN1; SMN2 (0.53) HPGDALDH1A1CYP1A2LMNAMAPT
SCHEMBL28037255 0.75 MAOB (0.45) CYP1A2CYP3A4RAB9A
SCHEMBL3984572 0.75 SPHK2 (0.42) HPGDCYP1A2MAPTSMN1; SMN2CYP2C19
SCHEMBL3982704 0.75 TSHR (0.46) HPGDALDH1A1SMN1; SMN2POLBL3MBTL1
SCHEMBL4904390 0.74 GAA (0.39) ALDH1A1CYP1A2LMNAMAPTCYP3A4
SCHEMBL2477345 0.74 HTR2C (0.48) ALDH1A1CYP1A2LMNASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005002514-A2 COMPOUNDS HAVING INHIBITIBE ACTIVITY OF PHOSPHATIDYLINOSITOL 3-KINASE AND METHODS OF USE THEREOF ECHELON BIOSCIENCES INCORPORATED (US) 2005-01-13 WO claimed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 US claimed
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-23 US disclosed
US-8901171-B2 Compounds for suppressing a peripheral nerve disorder induced by an anti-cancer agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-20130345304-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-26 US disclosed
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-21 US disclosed
EP-2528598-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI - CANCER AGENT Takeda Pharmaceutical Company Limited (JP) 2012-12-05 EP disclosed
EP-2411034-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS Life & Brain GmbH (DE) 2012-02-01 EP disclosed
EP-1551412-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISEASES RELATED TO NEUROTROPHINES MINERVA PATENTS SA (LU) 2011-05-04 EP disclosed
EP-2260869-A2 Pharmaceutical product Takeda Pharmaceutical Company Limited (JP) 2010-12-15 EP disclosed
US-6495604-B1 SUCH AS D-ETHYL-6-(N-(2,4-DIFLUOROPHENYL)SULFAMOYL)-1-CYCLOHEXENE-1-CARBOXYLATE FOR INHIBITING NITRIC OXIDE AND/OR CYTOKINE PRODUCTION; FOR PREVENTING OR TREATING CARDIAC DISEASE, AUTOIMMUNE DISEASE OR SEPTIC SHOCK TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-17 US disclosed
EP-1254659-A1 STABLE EMULSION COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2002-11-06 EP disclosed
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed
EP-1063228-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP disclosed
US-6153771-A 5-SUBSTITUTED ISOPHTHALIC ACID BIS(ALLYLAMIDE) OR CORRESPONDING EPOXIDE OF THE ALLYL GROUPS; INTERMEDIATE FOR IOHEXOL NYCOMED IMAGING AS (NO) 2000-11-28 US disclosed
EP-0968173-A1 PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR NYCOMED IMAGING AS (NO) 2000-01-05 EP disclosed
US-5824821-A EPOXIDATION OF ALLYLAMINO COMPOUND, HYDROLYSIS TO YIELD 2,3-DIHYDROXYPROPYLAMINO COMPOUNDS NYCOMED IMAGING AS (NO) 1998-10-20 US disclosed
WO-1998034905-A1 PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR NYCOMED IMAGING AS (NO) 1998-08-13 WO disclosed
US-4626528-A O,O-dialkyl O[p-(N-alkylcarbamoyl)phenyl]phosphorothionates and insecticidal compositions including the same S. C. JOHNSON & SON, INC. (US) 1986-12-02 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-20130345304-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF HPGD 1096/4885ALDH1A1 2141/4885CYP1A2 4814/4885
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF HPGD 1096/4885ALDH1A1 2141/4885CYP1A2 4814/4885
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF HPGD 1096/4885ALDH1A1 2141/4885CYP1A2 4814/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF HPGD 1096/4885ALDH1A1 2141/4885CYP1A2 4814/4885

“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.