SCHEMBL1410175

SCHEMBL1410175

CC(=O)N(C)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
TACR1 P25103 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
P2RX1 P51575 1/20 0.43
MAPT P10636 1/20 0.40
ACP1 P24666 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.37
RXRA P19793 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
PDK2 Q15119 1/20 0.37
CES2 O00748 1/20 0.36
POLQ O75417 4/20 0.36
TMPRSS4 Q9NRS4 1/20 0.35

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
SCHEMBL12436182 0.85 NOTUM (0.46) NOTUMTACR1P2RX1ACP1GPBAR1
SCHEMBL6815372 0.78 NOTUM (0.43) NOTUMTACR1P2RX1ACP1GPBAR1
SCHEMBL30503556 0.78 NOTUM (0.43) NOTUMTACR1P2RX1ACP1GPBAR1
SCHEMBL20568892 0.76 NOTUM (0.46) NOTUMTACR1P2RX1ACP1RXRA
SCHEMBL28141847 0.75 TP53 (0.50) TACR1SMN1; SMN2MAPTPDK2CES2
SCHEMBL11006983 0.74 TACR1 (0.57) TACR1P2RX1MAPTRXRACES2
SCHEMBL7143432 0.74 FSCN1 (0.36) SMN1; SMN2MAPTPDK2
SCHEMBL1409680 0.73 NOTUM (0.41) NOTUMTACR1SMN1; SMN2P2RX1ACP1
SCHEMBL14438022 0.73 SMN1; SMN2 (0.71) SMN1; SMN2MAPTRXRANR1H2NR1H3
SCHEMBL15397669 0.73 TACR1 (0.59) TACR1P2RX1MAPTRXRACES2

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
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 EP 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L NOTUM 874/4885TACR1 174/4885SMN1; SMN2 3209/4885

“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.