SCHEMBL10370478

SCHEMBL10370478

c1ccc(OCCn2ccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 1.00
LTA4H P09960 1/20 0.78
KMT2A Q03164 2/20 0.76
KDM4E B2RXH2 1/20 0.71
ALDH1A1 P00352 1/20 0.71
MAPK1 P28482 1/20 0.71
MEN1 O00255 1/20 0.67
LMNA P02545 1/20 0.67
NOS1 P29475 1/20 0.66

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
Hydrochloric Acid SCHEMBL9996050 0.98 TBXAS1 (0.97) TBXAS1LTA4HKMT2AKDM4EALDH1A1
SCHEMBL12045305 0.92 TBXAS1 (0.84) TBXAS1LTA4HKMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL9996074 0.90 TBXAS1 (0.82) TBXAS1LTA4HKMT2AKDM4EMEN1
SCHEMBL12045307 0.90 TBXAS1 (0.82) TBXAS1KMT2AKDM4EALDH1A1MEN1
SCHEMBL10476929 0.89 TBXAS1 (0.79) TBXAS1KMT2AKDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL9996079 0.89 TBXAS1 (0.79) TBXAS1KMT2AKDM4EALDH1A1MEN1
SCHEMBL7132156 0.88 LTA4H (1.00) TBXAS1LTA4HKMT2AKDM4EALDH1A1
SCHEMBL8638819 0.86 CACNA1B (0.77) TBXAS1LTA4HKMT2AKDM4EMEN1
SCHEMBL8685423 0.84 TBXAS1 (0.80) TBXAS1LTA4HKMT2AMEN1LMNA
SCHEMBL9260489 0.84 TBXAS1 (0.71) TBXAS1KDM4EALDH1A1LMNANOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108623616-B Imidazole cyclophane receptor, synthetic method thereof and application of imidazole cyclophane receptor in recognition of iron ions and dihydrogen phosphate ions 福州大学 2021-04-27 CN claimed
CN-108623616-B Imidazole cyclophane receptor, synthetic method thereof and application of imidazole cyclophane receptor in recognition of iron ions and dihydrogen phosphate ions 福州大学 2021-04-27 CN disclosed
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 US disclosed
US-9388179-B2 N-substituted indazole sulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2016-07-12 US disclosed
US-20150284389-A1 N-SUBSTITUTED INDAZOLE SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2015-10-08 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-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-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
EP-0175363-B1 4,5-DIHYDRO-3(2H)-PYRIDAZINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP disclosed
US-4816454-A CARDIOVASCULAR DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1989-03-28 US disclosed
US-4636500-A N-(phenoxyalkyl)imidazoles as selective inhibitors of the thromboxane synthetase enzyme and pharmaceutical compositions thereof PFIZER INC. (US) 1987-01-13 US disclosed
US-4602016-A N-(phenoxyalkyl)imidazoles as selective inhibitors of the thromboxane synthetase enzyme and pharmaceutical compositions thereof PFIZER INC. (US) 1986-07-22 US disclosed
US-4528195-A Imidazole derivatives and salts thereof, their synthesis and intermediates and pharmaceutical formulations THOROGOOD PETER B (GB) 1985-07-09 US disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed
US-4416895-A ANTICOAGULANTS, ANTISHOCK AGENTS BURROUGHS WELLCOME CO. (US) 1983-11-22 US disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 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 (5 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 TBXAS1 469/4885LTA4H 1955/4885KMT2A 4262/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TBXAS1 1071/4885LTA4H 1968/4885KMT2A 3654/4885
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD TBXAS1 265/4885LTA4H 2984/4885KMT2A 710/4885
US-20150284389-A1 N-SUBSTITUTED INDAZOLE SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN1B, SCN1A, SCN2B TBXAS1 1459/4885LTA4H 2075/4885KMT2A 1466/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD TBXAS1 265/4885LTA4H 2984/4885KMT2A 710/4885

“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.