SCHEMBL14482170

SCHEMBL14482170

Cc1c(C(=O)O)c(C(F)(F)F)nn1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
RAB9A P51151 5/20 0.49
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PDE4D Q08499 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.45
NOTUM Q6P988 1/20 0.44
FPR1 P21462 1/20 0.44
KDM4E B2RXH2 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL10577265 0.90 MEN1 (0.51) MEN1KMT2ARAB9AMAPTNPSR1
SCHEMBL2200696 0.86 POLB (0.58) MEN1KMT2APOLBSMN1; SMN2NOTUM
SCHEMBL10573142 0.86 HPGD (0.54) MEN1KMT2ARAB9AMAPTNPSR1
SCHEMBL16989247 0.82 HPGD (0.49) MEN1KMT2ARAB9AMAPTCYP1A2
SCHEMBL2938583 0.79 MEN1 (0.69) MEN1KMT2ARAB9AMAPTNPSR1
SCHEMBL20995055 0.79 SMN1; SMN2 (0.46) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL13815996 0.76 MEN1 (0.65) MEN1KMT2ARAB9AMAPTNPSR1
SCHEMBL27660244 0.76 MEN1 (0.65) MEN1KMT2ARAB9AMAPTNPSR1
SCHEMBL20427928 0.76 CYP1A2 (0.60) MEN1KMT2ARAB9AMAPTNPSR1
SCHEMBL16500084 0.75 TSHR (0.43) MEN1KMT2ARAB9AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2890682-B1 PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2016-06-29 EP disclosed
US-9145370-B2 Procedure for the decarboxylation of 3,5-bis(haloalkyl)-pyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2015-09-29 US disclosed
US-20150225350-A1 PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-08-13 US disclosed
US-8716485-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2014-05-06 US disclosed
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-01-10 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 (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-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES PC, ENO1, PDK2 MEN1 2319/4885KMT2A 1571/4885RAB9A 2706/4885
US-20150225350-A1 PROCEDURE FOR THE DECARBOXYLATION OF 3,5-BIS(HALOALKYL)-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AOC3, CBR3, AOC2 MEN1 3445/4885KMT2A 4063/4885RAB9A 2323/4885

“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.