SCHEMBL17409852

SCHEMBL17409852

Cc1ccc(C(=O)Nc2nonc2C)c(C)c1S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 5/20 0.45
KMT2A Q03164 3/20 0.45
RXFP1 Q9HBX9 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 3/20 0.35
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL16213080 0.89 NPC1 (0.44) NPC1RAB9AKMT2ARXFP1POLB
SCHEMBL16293630 0.84 NPC1 (0.41) NPC1RAB9AKMT2ARXFP1POLB
SCHEMBL17409842 0.84 NPC1 (0.41) NPC1RAB9AKMT2ARXFP1POLB
SCHEMBL18932460 0.84 NPC1 (0.51) NPC1RAB9AKMT2ARXFP1POLB
SCHEMBL17409846 0.78 NPC1 (0.46) NPC1RAB9AKMT2ARXFP1POLB
SCHEMBL16915424 0.76 NPC1 (0.42) NPC1RAB9AKMT2ARXFP1POLB
SCHEMBL16212492 0.75 SMN1; SMN2 (0.33) NPC1RAB9AKMT2ARXFP1MEN1
SCHEMBL10504321 0.74 SMN1; SMN2 (0.58) NPC1RAB9AKMT2ACYP1A2SMN1; SMN2
SCHEMBL1458165 0.72 NPC1 (0.44) NPC1RAB9AKMT2ARXFP1POLB
SCHEMBL29182511 0.71 KMT2A (0.41) NPC1RAB9AKMT2ARXFP1POLB

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-3160946-B1 HERBICIDAL BENZOIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 EP disclosed
US-9988359-B2 Herbicidally active benzoic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-05 US disclosed
US-20170197926-A1 HERBICIDALLY ACTIVE BENXZOIC ACID AMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-13 US disclosed
WO-2016001074-A1 HERBICIDALLY ACTIVE BENZOIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2016-01-07 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 (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-20170197926-A1 HERBICIDALLY ACTIVE BENXZOIC ACID AMIDES AOX1, GABRA5, GABRD NPC1 4588/4885RAB9A 3263/4885KMT2A 646/4885

“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.