SCHEMBL19640326

SCHEMBL19640326

COc1[c]cc(C(=O)NC2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
TSHR P16473 1/20 0.46
HPGDS O60760 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
SCHEMBL19640337 0.96 NPC1 (0.50) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL9900580 0.78 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL11240479 0.78 RAB9A (0.76) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL9900395 0.77 RAB9A (0.58) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL28928584 0.77 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL520877 0.77 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL126657 0.77 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL3143526 0.75 KMT2A (0.74) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL11687058 0.75 KMT2A (0.74) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL17749725 0.75 TDP1 (0.50) SMN1; SMN2HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003409-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-04-25 CN disclosed
CN-107207493-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-20 CN disclosed
CN-115583947-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-10 CN disclosed
US-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
CN-107207493-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2017-09-26 CN 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-10183009-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 NPC1 1302/4885RAB9A 1868/4885SMN1; SMN2 1340/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 NPC1 1302/4885RAB9A 1868/4885SMN1; SMN2 1340/4885

“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.