SCHEMBL3281996

SCHEMBL3281996

O=C(Cc1cccc(F)c1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.52
IDO1 P14902 3/20 0.50
PLOD2 O00469 2/20 0.50
PKM P14618 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
PLOD3 O60568 1/20 0.49
PLOD1 Q02809 1/20 0.49
TBXAS1 P24557 1/20 0.48
AGTR1 P30556 1/20 0.48
OPRK1 P41145 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
MEN1 O00255 1/20 0.45
NAPRT Q6XQN6 1/20 0.45

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
SCHEMBL2662937 0.83 GAA (0.57) ALDH1A1KDM4EIDO1PLOD2PLOD3
SCHEMBL31326722 0.82 NAPRT (0.65) ALDH1A1LMNAIDO1PLOD2PLOD3
SCHEMBL17672056 0.82 NAPRT (0.65) ALDH1A1LMNAIDO1PLOD2PLOD3
SCHEMBL11823899 0.82 NPC1 (0.65) ALDH1A1KDM4ELMNAIDO1PLOD2
Bromide SCHEMBL11271481 0.82 GAA (0.56) ALDH1A1KDM4EIDO1PLOD2PLOD3
SCHEMBL28843895 0.82 NAPRT (0.56) ALDH1A1KDM4ELMNAIDO1PKM
SCHEMBL9602354 0.82 MEN1 (0.57) PLOD2PLOD3PLOD1TBXAS1KMT2A
SCHEMBL4090694 0.81 PLOD2 (0.49) ALDH1A1LMNAIDO1PLOD2PLOD3
SCHEMBL360711 0.81 PLOD2 (0.69) ALDH1A1KDM4ELMNAPLOD2PLOD3
SCHEMBL570730 0.81 MAPT (0.51) RAB9AMAPT

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
EP-2018364-B1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN INC (US) 2013-08-21 EP disclosed
US-7709507-B2 Therapeutic fluoroethyl ureas ALLERGAN, INC. (US) 2010-05-04 US disclosed
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed
US-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. 2007-11-22 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-20070270498-A1 THERAPEUTIC FLUOROETHYL UREAS SLC14A1, MAPT, UTS2R ALDH1A1 1278/4885KDM4E 1547/4885LMNA 2047/4885

“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.