SCHEMBL19329870

SCHEMBL19329870

COc1ccc(Cc2cc3ccccc3n2-c2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDE10A Q9Y233 2/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ CYP11B1 P15538 3/20 0.42
▸ CYP11B2 P19099 3/20 0.42
▸ PPARG P37231 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL19329907 0.86 CYP19A1 (0.45) CYP19A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL19329647 0.85 CYP19A1 (0.41) CYP19A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL19329745 0.83 CYP19A1 (0.45) CYP19A1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL31522284 0.76 KDM4E (0.45) CYP19A1KDM4EHPGDNPSR1L3MBTL1
SCHEMBL30704294 0.71 PDE10A (0.45) KDM4EHPGDL3MBTL1NPC1RAB9A
SCHEMBL29134981 0.71 RAB9A (0.43) CYP19A1KDM4EHPGDL3MBTL1RAB9A
SCHEMBL29134982 0.71 PDE10A (0.45) KDM4EHPGDL3MBTL1NPC1RAB9A
SCHEMBL29387435 0.70 SMN1; SMN2 (0.43) KDM4EHPGDNPSR1NPC1RAB9A
SCHEMBL4865308 0.70 SMN1; SMN2 (0.43) KDM4EHPGDNPSR1NPC1RAB9A
SCHEMBL19330015 0.70 OXER1 (0.47) KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10940468-B2 Nickel catalyst, process for preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-03-09 — — US disclosed
WO-2017154022-A1 NOVEL NICKEL CATALYST, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-14 — — 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-10940468-B2 Nickel catalyst, process for preparation and use thereof NISCH, NIT2, C9 CYP19A1 84/4885KDM4E 2876/4885HPGD 416/4885

“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.

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