SCHEMBL2171200

SCHEMBL2171200

Cc1ccc(-c2cc(Br)cc(C(=O)O)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LDHA P00338 2/20 0.44
POLB P06746 2/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
TP53 P04637 1/20 0.43
P4HA1 P13674 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
CTRC Q99895 1/20 0.42
SORT1 Q99523 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL1495762 0.89 LDHA (0.50) RAB9ANPC1SMN1; SMN2LDHACCR1
SCHEMBL311095 0.85 NOTUM (0.43) RAB9ANPC1SMN1; SMN2POLBCCR1
SCHEMBL3474997 0.84 DHODH (0.54) RAB9ANPC1SMN1; SMN2LDHACCR1
SCHEMBL2187858 0.83 SMN1; SMN2 (0.68) RAB9ANPC1SMN1; SMN2LDHATP53
SCHEMBL3473972 0.82 LDHA (0.55) LDHACCR1CCR5CCR8HDAC6
SCHEMBL358035 0.82 LDHA (0.58) RAB9ANPC1SMN1; SMN2LDHACCR1
SCHEMBL409583 0.82 LDHA (0.44) RAB9ANPC1SMN1; SMN2LDHACCR1
SCHEMBL3063243 0.81 P2RX3 (0.44) RAB9ANPC1SMN1; SMN2LDHACCR1
SCHEMBL3053361 0.81 LDHA (0.43) RAB9ANPC1SMN1; SMN2LDHACCR1
SCHEMBL24365554 0.80 LDHA (0.56) LDHACCR1CCR5CCR8HDAC6

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234981-B1 NOVEL IMIDAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-03-30 EP disclosed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2014-10-30 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
US-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-09-29 US disclosed
EP-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 EP disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO 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 (2 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-20110237578-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF ADORA2B, IL1B, AVPR1B RAB9A 1625/4885NPC1 3073/4885SMN1; SMN2 1829/4885
US-20140323532-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B RAB9A 1588/4885NPC1 2900/4885SMN1; SMN2 1667/4885

“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.