SCHEMBL3739595

SCHEMBL3739595

[NH]C(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 2/20 0.55
MAPK1 P28482 1/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL29958946 0.82 GRIN2D (0.60) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1008398 0.82 POLB (0.63) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL167598 0.82 GRIN2D (0.60) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2092532 0.82 POLB (0.58) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL3938038 0.82 POLB (0.58) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5142574 0.81 POLB (0.76) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5535630 0.81 POLB (0.57) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1395802 0.81 POLB (0.58) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL20560294 0.81 POLB (0.57) POLBMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL30136232 0.81 POLB (0.58) POLBMEN1KMT2AKDM4ESMN1; SMN2

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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US claimed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP claimed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 WO claimed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R POLB 3993/4885MEN1 202/4885KMT2A 4121/4885

“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.