SCHEMBL916072

SCHEMBL916072

O=c1oc(-c2ncc(C(F)(F)F)cc2Cl)nc2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NT5E P21589 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.38
▸ F7 P08709 1/20 0.38
▸ F3 P13726 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2D6 P10635 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
SCHEMBL28841322 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL914127 0.79 KLK7 (0.51) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL28841248 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL28841229 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL29878650 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL29879138 0.75 ELANE (0.53) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL28841240 0.75 ELANE (0.53) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL28493089 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL28493817 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMEN1CYP1A2
SCHEMBL6565665 0.71 TP53 (0.70) ALDH1A1KDM4EKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872052-B2 Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2011-01-18 — — US disclosed
US-20060258651-A1 Use of heterocyclic compounds as scce inhibitors QUANTUM LTO HOLDINGS, LLC 2006-11-16 — — US disclosed
US-6180625-B1 MODULATING AND NORMALIZING AN IMPAIRED HAEMOSTATIC BALANCE IN A MAMMAL, WHICH METHOD COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF NOVEL BENZOXAZIN DERIVATIVES; ANTICOAGULANTS NOVO NORDISK A/S (DK) 2001-01-30 — — 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 (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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 ALDH1A1 584/4885KDM4E 1362/4885KMT2A 2584/4885

“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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