SCHEMBL915758

SCHEMBL915758

O=c1oc(-c2c(F)cccc2F)nc2cc(C(F)(F)F)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 4/20 1.00
F3 P13726 4/20 1.00
C1R P00736 4/20 0.54
APEX1 P27695 1/20 0.50
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F10 P00742 1/20 0.42
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
ELANE P08246 2/20 0.40
NOTUM Q6P988 1/20 0.39
HPN P05981 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAT2A P31153 1/20 0.37

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
SCHEMBL914657 0.90 F7 (0.81) F7F3C1RAPEX1ALDH1A1
SCHEMBL914397 0.83 F7 (0.71) F7F3C1RAPEX1ALDH1A1
SCHEMBL914392 0.81 F7 (0.68) F7F3C1RAPEX1ALDH1A1
SCHEMBL913631 0.80 F7 (0.67) F7F3C1RAPEX1ALDH1A1
SCHEMBL7320508 0.79 C1R (0.72) F7F3C1RALDH1A1MAPT
SCHEMBL914066 0.77 F7 (1.00) F7F3C1RAPEX1ALDH1A1
SCHEMBL914467 0.75 C1R (0.67) F7F3C1RAPEX1MAPT
SCHEMBL10740589 0.75 F7 (0.60) F7F3C1RAPEX1ALDH1A1
SCHEMBL7393864 0.74 F7 (1.00) F7F3C1RAPEX1ALDH1A1
SCHEMBL14273715 0.73 KDM4E (0.58) F7F3C1RAPEX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
EP-1631295-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER Arexis AB (SE) 2006-03-08 EP disclosed
WO-2004108139-A2 USE OF FUSED HETEROCYCLIC COMPOUNDS AS SCCE INHIBITORS FOR THE TREATMENT OF SKIN CONDITIONS OR CANCER AREXIS AB (SE) 2004-12-16 WO 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
WO-1999048878-A1 HETEROCYCLIC COMPOUNDS REGULATING CLOTTING NOVO NORDISK A/S (DK) 1999-09-30 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-20060258651-A1 Use of heterocyclic compounds as scce inhibitors RCE1, CTSE, SPINT2 F7 3152/4885F3 1856/4885C1R 202/4885

“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.