SCHEMBL16101372

SCHEMBL16101372

NC(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 2/20 0.55
WNT3A P56704 1/20 0.53
CSNK2A2 P19784 2/20 0.53
CSNK2A1 P68400 2/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RXFP1 Q9HBX9 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
DDX3X O00571 1/20 0.51
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
GFER P55789 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL16119638 0.85 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2KDM4EWNT3A
SCHEMBL16102364 0.85 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2KDM4EWNT3A
SCHEMBL16119726 0.84 WNT3A (0.55) NPC1RAB9ASMN1; SMN2KDM4EWNT3A
SCHEMBL16102243 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2KDM4EWNT3A
SCHEMBL16102486 0.82 RAB9A (0.57) NPC1RAB9ASMN1; SMN2KDM4EWNT3A
SCHEMBL16102453 0.82 ALDH1A1 (0.65) NPC1RAB9AWNT3AMEN1KMT2A
SCHEMBL16101891 0.80 WNT3A (0.59) NPC1RAB9ASMN1; SMN2KDM4EWNT3A
SCHEMBL16102452 0.79 WNT3A (0.58) NPC1RAB9ASMN1; SMN2KDM4EWNT3A
SCHEMBL16100709 0.79 WNT3A (0.59) NPC1RAB9ASMN1; SMN2KDM4EWNT3A
SCHEMBL11480689 0.75 CSNK2A2 (0.83) NPC1RAB9ASMN1; SMN2KDM4ECSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10130633-B2 Compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
EP-2976327-A2 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
WO-2014147021-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
WO-2014147021-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 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-20160263122-A1 NOVEL COMPOUNDS NAT1, AADAC, CBR3 NPC1 184/4885RAB9A 2147/4885SMN1; SMN2 2327/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 NPC1 215/4885RAB9A 2650/4885SMN1; SMN2 2535/4885

“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.