SCHEMBL407191

SCHEMBL407191

O=C(Cn1cncn1)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
CYP19A1 P11511 5/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.48
MGAM O43451 1/20 0.48
AMY1A P0DUB6 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
NPC1 O15118 1/20 0.48
NR2F2 P24468 1/20 0.48
PTPN1 P18031 1/20 0.47
GSK3B P49841 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5066568 0.91 CYP19A1 (0.59) ALDH1A1CYP19A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL412860 0.89 CYP19A1 (0.57) ALDH1A1CYP19A1SMN1; SMN2MEN1KMT2A
SCHEMBL25252104 0.87 HTT (0.59) ALDH1A1CYP19A1SMN1; SMN2MEN1KMT2A
SCHEMBL12045393 0.85 LMNA (0.52) CYP19A1MEN1KMT2ALMNA
SCHEMBL17208333 0.84 KDM4E (0.50) ALDH1A1CYP19A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9996063 0.84 LMNA (0.51) CYP19A1MEN1KMT2ALMNA
SCHEMBL7293623 0.81 HTT (0.63) ALDH1A1CYP19A1SMN1; SMN2MEN1KMT2A
SCHEMBL673406 0.81 LMNA (0.53) CYP19A1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL412906 0.81 HDAC1 (0.49) CYP19A1RAB9AMAPTMGAMAMY1A
SCHEMBL6558375 0.81 CYP1A2 (0.59) ALDH1A1CYP19A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US claimed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US claimed
EP-2173740-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM Osta Biotechnologies (CA) 2010-04-14 EP claimed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US claimed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO claimed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 WO disclosed
EP-0171137-B1 Substituted imidazoles and triazoles UNIROYAL CHEM CO INC (US) 1994-04-06 EP disclosed
US-4870094-A FUNGICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1989-09-26 US disclosed
US-4650809-A AGRICULTURE BAYER AKTIENGESELLSCHAFT (DE) 1987-03-17 US disclosed
EP-0171137-A1 Substituted imidazoles and triazoles UNIROYAL CHEMICAL COMPANY, Inc. (US) 1986-02-12 EP disclosed
EP-0160930-A2 Cyclic azolylvinyl ethers BAYER AG (DE) 1985-11-13 EP disclosed
EP-0011768-B1 HYDROXYPROPYL TRIAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS BAYER AG (DE) 1981-10-21 EP disclosed
EP-0011768-A1 Hydroxypropyl triazoles, process for their preparation and medicaments containing these compounds BAYER AG (DE) 1980-06-11 EP 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 ALDH1A1 452/4885CYP19A1 884/4885RAB9A 3526/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 ALDH1A1 394/4885CYP19A1 641/4885RAB9A 3968/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 ALDH1A1 394/4885CYP19A1 641/4885RAB9A 3968/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 ALDH1A1 438/4885CYP19A1 614/4885RAB9A 3919/4885

“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.