SCHEMBL914397

SCHEMBL914397

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 4/20 0.71
F3 P13726 4/20 0.71
APEX1 P27695 1/20 0.54
C1R P00736 5/20 0.51
HPN P05981 1/20 0.46
F10 P00742 1/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ELANE P08246 3/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40

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
SCHEMBL914392 0.86 F7 (0.68) F7F3APEX1C1RHPN
SCHEMBL913631 0.85 F7 (0.67) F7F3APEX1C1RHPN
SCHEMBL17554083 0.84 APEX1 (0.76) F7F3APEX1C1RF10
SCHEMBL915758 0.83 F7 (1.00) F7F3APEX1C1RHPN
SCHEMBL7320508 0.83 C1R (0.72) F7F3C1RF10MAPT
SCHEMBL12927374 0.81 ELANE (0.56) F7F3APEX1C1RHPN
SCHEMBL914066 0.81 F7 (1.00) F7F3APEX1C1RMAPT
SCHEMBL9744461 0.81 ELANE (0.69) APEX1C1RHPNMAPTALDH1A1
SCHEMBL7393864 0.78 F7 (1.00) F7F3APEX1C1RF10
SCHEMBL914143 0.77 KDM4E (0.59) F7F3APEX1C1RHPN

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 4 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
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 F7 3152/4885F3 1856/4885APEX1 1422/4885

“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.