SCHEMBL2856239

SCHEMBL2856239

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2Cl)cc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RORC P51449 2/20 0.42
RAB9A P51151 2/20 0.41
PPARG P37231 1/20 0.40
P2RX1 P51575 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSPB1 P04792 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PABPC1 P11940 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL2849166 0.86 BTK (0.45) RAB9AKCNK3KCNK9CYP2C9BRAF
SCHEMBL2857553 0.86 PPARG (0.48) MAPTSMN1; SMN2RORCRAB9APPARG
SCHEMBL2857613 0.82 GAA (0.54) MAPTRAB9ABRAFGAAMAPK1
SCHEMBL2851303 0.79 HSPB1 (0.49) MAPTPOLBSMN1; SMN2CYP1A2HSPB1
SCHEMBL2851309 0.79 HSPB1 (0.49) MAPTPOLBSMN1; SMN2CYP1A2HSPB1
SCHEMBL2862228 0.76 KDR (0.47) MAPTPOLBSMN1; SMN2RAB9AMEN1
SCHEMBL29618956 0.76 HSPB1 (0.44) MAPTPOLBSMN1; SMN2CYP2C19HSPB1
SCHEMBL2853807 0.75 RAF1 (0.40) MAPTKCNK3KCNK9CYP2C9BRAF
SCHEMBL2851567 0.74 BRAF (0.61) CYP2C9BRAF
SCHEMBL2853585 0.74 KDR (0.39) MAPTSMN1; SMN2KCNK3KCNK9MEN1

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-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 MAPT 4439/4885POLB 4438/4885SMN1; SMN2 4673/4885

“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.