SCHEMBL18160409

SCHEMBL18160409

Cc1ccnc(C(=O)Nc2ccc(F)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
TP53 P04637 2/20 0.63
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
CSF1R P07333 1/20 0.56
FLT3 P36888 1/20 0.56
CD38 P28907 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KDR P35968 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GRM5 P41594 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL12017788 0.84 NT5E (0.59) NPC1RAB9ASMN1; SMN2CSF1RFLT3
SCHEMBL15691400 0.84 KDR (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1CSF1R
SCHEMBL18146523 0.82 RAB9A (0.51) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL26074412 0.80 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL26074273 0.80 GRM4 (0.57) NPC1RAB9ASMN1; SMN2CSF1RFLT3
SCHEMBL21096059 0.78 SMN1; SMN2 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL14082326 0.78 PTPN1 (0.64) NPC1RAB9ASMN1; SMN2TP53RXFP1
SCHEMBL30686047 0.78 GRM4 (0.65) NPC1RAB9ASMN1; SMN2GAAKDR
SCHEMBL10415452 0.78 GRM4 (0.65) NPC1RAB9ASMN1; SMN2GAAKDR
SCHEMBL18147607 0.77 PYGL (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170339961-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-11-30 US disclosed
US-9781935-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-10-10 US disclosed
US-20160304522-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2016-10-20 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-20160304522-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD NPC1 3361/4885RAB9A 567/4885SMN1; SMN2 3645/4885
US-20170339961-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD NPC1 3361/4885RAB9A 567/4885SMN1; SMN2 3645/4885

“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.