SCHEMBL6950296

SCHEMBL6950296

O=C(CCn1ccnc1)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
EGLN3 Q9H6Z9 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP19A1 P11511 2/20 0.53
CYP2A6 P11509 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
CYP2B6 P20813 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52

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 SCHEMBL408241 0.98 TBXAS1 (0.57) TBXAS1SMN1; SMN2EGLN3CYP1A2CYP3A4
SCHEMBL11154431 0.92 PKM (0.52) TBXAS1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL6943143 0.91 TBXAS1 (0.67) TBXAS1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL11257445 0.85 TBXAS1 (0.58) TBXAS1EGLN3CYP19A1CYP11B1CYP11B2
SCHEMBL6948774 0.85 POLB (0.60) TBXAS1EGLN3CYP19A1CYP11B1CYP11B2
SCHEMBL10247505 0.84 CYP19A1 (0.72) CYP19A1CYP2A6CYP11B1CYP11B2CYP2B6
SCHEMBL3255191 0.84 TBXAS1 (0.78) TBXAS1EGLN3CYP19A1
SCHEMBL11157296 0.84 TBXAS1 (0.58) TBXAS1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL7980478 0.84 CA12 (0.54) TBXAS1EGLN3
SCHEMBL11154291 0.83 TBXAS1 (0.64) TBXAS1SMN1; SMN2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-5770740-A TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1998-06-23 US disclosed
US-5696142-A TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-12-09 US disclosed
US-5686447-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5686483-A TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5686446-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5684021-A Aminoalkyloximes for treating depression and affective disorders HOECHST MARION ROUSSEL, INC. (US) 1997-11-04 US disclosed
US-5665756-A Aminoalkyloximes useful in the treatment of depression and obsessive compulsive disorders HOECHST MARION ROUSSEL, INC. (US) 1997-09-09 US disclosed
US-5648367-A ANTIDEPRESANTS, OBSESSIVE-COMPULSIVE DISORDER HOECHST MARION ROUSSEL, INC. (US) 1997-07-15 US disclosed
EP-0709378-A2 Aminoalkyloximes, a process for their preparation, their use as medicaments and intermediate compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1996-05-01 EP disclosed
US-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 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 (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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 TBXAS1 469/4885SMN1; SMN2 213/4885EGLN3 346/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TBXAS1 1071/4885SMN1; SMN2 95/4885EGLN3 241/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 TBXAS1 1071/4885SMN1; SMN2 95/4885EGLN3 241/4885

“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.