SCHEMBL674062

SCHEMBL674062

C[N]CCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
KEAP1 Q14145 1/20 0.46
CYP1A2 P05177 2/20 0.43
GLA P06280 1/20 0.42
SIGMAR1 Q99720 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 1/20 0.38
DUSP3 P51452 1/20 0.38
USP2 O75604 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
MAPK1 P28482 1/20 0.38
SCN1A P35498 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN2A Q99250 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
SCHEMBL952480 0.86 KEAP1 (0.54) ALDH1A1KDM4ESMN1; SMN2KEAP1CYP1A2
SCHEMBL11856358 0.82 KDM4E (0.70) ALDH1A1KDM4ESMN1; SMN2KEAP1GLA
SCHEMBL5496326 0.80 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2KEAP1CYP1A2
SCHEMBL235080 0.79 KDM4E (0.65) ALDH1A1KDM4ESMN1; SMN2KEAP1GLA
SCHEMBL3437040 0.77 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2KEAP1CYP1A2
SCHEMBL2654670 0.77 MC4R (0.41) KDM4ECYP1A2SIGMAR1CA2
SCHEMBL474947 0.77
SCHEMBL10352983 0.77 CYP1A2 (0.57) ALDH1A1KDM4ESMN1; SMN2KEAP1CYP1A2
SCHEMBL10501656 0.76 KEAP1 (0.52) ALDH1A1KDM4ESMN1; SMN2KEAP1CYP1A2
SCHEMBL6077409 0.76 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2KEAP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072890-B1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI PHARMA INC (US) 2018-10-17 EP claimed
EP-3072890-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI Pharma, Inc. (US) 2016-09-28 EP claimed
US-8486939-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-07-16 US claimed
EP-2532659-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy Pathway Therapeutics, Inc. (US) 2012-12-12 EP claimed
EP-2451802-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-05-16 EP claimed
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP claimed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US claimed
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 US claimed
WO-2011005119-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 WO claimed
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
EP-0412907-B1 New organic acid esters of alcoholic derivatives of 19-nor steroids and their salts, process for their preparation and intermediates thereof, their use as medicines and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1994-11-09 EP claimed
US-5047432-A Antidepressants THE BOOTS COMPANY PLC (GB) 1991-09-10 US claimed
CN-1049352-A The alcohol derivate of using the 19-norsteroid prepares the method for new organic acid acetic and salt thereof ROUSSEL UCLAF (FR) 1991-02-20 CN claimed
US-4925879-A ANTIDEPRESSANTS BOOTS COMPANY, PLC (GB) 1990-05-15 US claimed
EP-0191542-B1 ARYLCYCLOBUTYLALKYL AMINES AND THEIR USE AS ANTIDEPRESSIVE MEDICINES The Boots Company PLC (GB) 1988-06-08 EP claimed
EP-0191542-A1 Arylcyclobutylalkyl amines and their use as antidepressive medicines The Boots Company PLC (GB) 1986-08-20 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD ALDH1A1 271/4885KDM4E 1697/4885SMN1; SMN2 318/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R ALDH1A1 3792/4885KDM4E 3498/4885SMN1; SMN2 1621/4885
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY TYMP, TYMS, CCNI ALDH1A1 162/4885KDM4E 2870/4885SMN1; SMN2 3760/4885

“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.