SCHEMBL1663643

SCHEMBL1663643

Nn1c(C(F)(F)F)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.55
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.50
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 1/20 0.48
TP53 P04637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
PIK3CB P42338 1/20 0.46
CYP3A4 P08684 1/20 0.44
MEN1 O00255 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
SCHEMBL19073863 0.81 NOS2 (0.55) NOS2ALDH1A1KDM4EHPGDMAPK1
SCHEMBL2958001 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDMAPK1CYP2C9
SCHEMBL30034162 0.77 SMN1; SMN2 (0.55) ALDH1A1KDM4EHPGDMAPK1CYP2C9
SCHEMBL6019499 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPK1CYP2C9
SCHEMBL5851401 0.77 SMN1; SMN2 (0.55) ALDH1A1KDM4EHPGDMAPK1CYP2C9
SCHEMBL5851398 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPK1CYP2C9
SCHEMBL10457804 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPK1CYP2C9
SCHEMBL12937256 0.76 MAPK1 (0.74) ALDH1A1KDM4EHPGDMAPK1CYP2C9
SCHEMBL3715629 0.75 KDM4E (0.58) ALDH1A1KDM4EHPGDCYP2C9CYP2C19
SCHEMBL30388095 0.75 KDM4E (0.58) ALDH1A1KDM4EHPGDCYP2C9CYP2C19

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
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed
US-20060106262-A1 Electrooptic chromophores with large optical birefringence for applications at high speed and short wavelengths OPTIMER PHOTONICS, INC. 2006-05-18 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-20060106262-A1 Electrooptic chromophores with large optical birefringence for applications at high speed and short wavelengths EYA2, CRY2, EYA3 NOS2 1734/4885ALDH1A1 1560/4885KDM4E 1086/4885

“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.