SCHEMBL19329907

SCHEMBL19329907

Cc1ccc(Cc2cc3ccccc3n2-c2ccccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 4/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HTT P42858 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ MAT2A P31153 1/20 0.37

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
SCHEMBL19329647 0.89 CYP19A1 (0.41) CYP19A1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL19329745 0.86 CYP19A1 (0.45) CYP19A1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4865308 0.76 SMN1; SMN2 (0.43) NPSR1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL29387435 0.76 SMN1; SMN2 (0.43) NPSR1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL28487805 0.73 MEN1 (0.38) CYP19A1NPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL19329633 0.73 OXER1 (0.47) ALDH1A1KDM4EHPGD
SCHEMBL19330015 0.73 OXER1 (0.47) ALDH1A1KDM4EHPGD
SCHEMBL30865942 0.70 HSD17B10 (0.44) NPSR1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL30724191 0.70 POLB (0.41) NPSR1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL30724190 0.70 POLB (0.41) NPSR1ALDH1A1KDM4ESMN1; SMN2RAB9A

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 84/4885NPSR1 1526/4885ALDH1A1 2645/4885

“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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