SCHEMBL17249596

SCHEMBL17249596

CC(=O)c1cccnc1C(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 1/20 0.39
KMT2A Q03164 1/20 0.37
MYC P01106 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL16414490 0.85 ALDH1A1 (0.44) NAPRTKDM4EALDH1A1TDP1MAPT
SCHEMBL31585844 0.83 NAPRT (0.58) NAPRTKDM4EALDH1A1TDP1MAPT
SCHEMBL3932427 0.83 NAPRT (0.58) NAPRTKDM4EALDH1A1TDP1MAPT
SCHEMBL24135918 0.81 KDM4E (0.41) NAPRTKDM4EALDH1A1TDP1MAPT
SCHEMBL14976530 0.81 NAPRT (0.43) NAPRTKDM4EALDH1A1TDP1MAPT
SCHEMBL30687291 0.81 PARP1 (0.51) NAPRTKDM4EALDH1A1TDP1MAPT
Hydrochloric Acid SCHEMBL28886794 0.81 NAPRT (0.56) NAPRTKDM4EALDH1A1TDP1MAPT
SCHEMBL17857938 0.81 PARP1 (0.51) NAPRTKDM4EALDH1A1TDP1MAPT
SCHEMBL17854908 0.81 SMN1; SMN2 (0.43) NAPRTKDM4EALDH1A1TDP1MAPT
SCHEMBL16344365 0.81 TDP1 (0.55) KDM4EALDH1A1TDP1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018046431-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-15 WO disclosed
US-20180057462-A1 Substituted 2-difluoromethyl-nicotin(thio)carboxanilide derivatives and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-01 US disclosed
US-20170150717-A1 Difluoromethyl-nicotinic-indanyl carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-01 US disclosed
US-9428459-B2 Difluoromethyl-nicotinic- tetrahydronaphtyl carboxamides BAYER CROPSCIENCE AG (DE) 2016-08-30 US disclosed
US-9376391-B2 Difluoromethyl-nicotinic-tetrahydronaphthyl carboxamides as fungicides BAYER CROPSCIENCE AG (DE) 2016-06-28 US disclosed
US-20150336896-A1 DIFLUOROMETHYL-NICOTINIC- TETRAHYDRONAPHTHYL CARBOXAMIDES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-11-26 US disclosed
US-20150322013-A1 DIFLUOROMETHYL-NICOTINIC- TETRAHYDRONAPHTYL CARBOXAMIDES BAYER CROPSCIENCE AG (US) 2015-11-12 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 (4 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-20170150717-A1 Difluoromethyl-nicotinic-indanyl carboxamides NNMT, NAPRT, NAMPT NAPRT 2/4885KDM4E 1707/4885ALDH1A1 2673/4885
US-20150322013-A1 DIFLUOROMETHYL-NICOTINIC- TETRAHYDRONAPHTYL CARBOXAMIDES NAPRT, NNMT, NAMPT NAPRT 1/4885KDM4E 2971/4885ALDH1A1 1589/4885
US-20150336896-A1 DIFLUOROMETHYL-NICOTINIC- TETRAHYDRONAPHTHYL CARBOXAMIDES AS FUNGICIDES NAPRT, DDT, NAMPT NAPRT 1/4885KDM4E 1173/4885ALDH1A1 1589/4885
US-20180057462-A1 Substituted 2-difluoromethyl-nicotin(thio)carboxanilide derivatives and their use as fungicides NAPRT, NAMPT, NIT2 NAPRT 1/4885KDM4E 845/4885ALDH1A1 1652/4885

“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.