SCHEMBL4394987

SCHEMBL4394987

O=C(C[n+]1cc[nH]c1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ ALDH1A1 P00352 7/20 0.51
▸ KDM4E B2RXH2 3/20 0.50
▸ PABPC1 P11940 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ RECQL P46063 1/20 0.48
▸ GLA P06280 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ CYP1A2 P05177 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
SCHEMBL10531173 0.82 ALDH1A1 (0.44) KMT2AMEN1RAB9AALDH1A1KDM4E
Bromide SCHEMBL10526748 0.82 ALDH1A1 (0.54) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL10531137 0.82 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4EPABPC1
Bromide SCHEMBL10531147 0.81 ALDH1A1 (0.44) KMT2AMEN1RAB9AALDH1A1KDM4E
Bromide SCHEMBL10529155 0.81 KMT2A (0.49) KMT2ARAB9AALDH1A1KDM4EPABPC1
SCHEMBL10528532 0.78 MAPT (0.49) KMT2ARAB9AALDH1A1KDM4EGLA
SCHEMBL765905 0.77 KDM4E (0.76) KMT2AMEN1RAB9AALDH1A1KDM4E
Bromide SCHEMBL10526754 0.77 MAPT (0.51) RAB9AALDH1A1KDM4EGLASMN1; SMN2
SCHEMBL10526705 0.76 KMT2A (0.43) KMT2AMEN1RAB9AALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL28760030 0.76 KDM4E (0.73) KMT2AMEN1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090041740-A1 CANCER TREATMENT BY METABOLIC MODULATIONS ENGENE, INC. (CA) 2009-02-12 — — US disclosed
US-20070249484-A1 Process for the Photoactivation and use of a Catalyst by an Inverted Two-Stage Procedure CIBA SPECIALTY CHEMICALS CORP. 2007-10-25 — — US disclosed
US-20050202559-A1 Cancer treatment by metabolic modulations HERCULES CAPITAL, INC. 2005-09-15 — — US disclosed
EP-1556088-A2 COMPOSITIONS FOR CANCER TREATMENT Engene, Inc. (CA) 2005-07-27 — — EP disclosed
WO-2004039412-A2 COMPOSITIONS FOR CANCER TREATMENT ENGENE, INC. (CA) 2004-05-13 — — WO 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 (1 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-20070249484-A1 Process for the Photoactivation and use of a Catalyst by an Inverted Two-Stage Procedure INF2, CRY2, CCNT2 KMT2A 89/4885MEN1 2611/4885RAB9A 3024/4885

“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.

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