SCHEMBL19326596

SCHEMBL19326596

C#CC(CC)(CC)n1cc(-c2ccccc2)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GGPS1 O95749 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ GBA1 P04062 2/20 0.35
▸ EPHB4 P54760 2/20 0.35

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
SCHEMBL19326603 0.80 NPC1 (0.34) CYP19A1NPC1RAB9ALMNATSHR
SCHEMBL22821490 0.78 CYP19A1 (0.46) CYP19A1NPC1RAB9ABCHELMNA
SCHEMBL13036563 0.74 CYP19A1 (0.47) CYP19A1NPC1RAB9ABCHELMNA
SCHEMBL26156421 0.71 CYP19A1 (0.45) CYP19A1NPC1RAB9ABCHELMNA
SCHEMBL20995389 0.71 CYP19A1 (0.47) CYP19A1NPC1RAB9ABCHELMNA
SCHEMBL20995378 0.69 CYP19A1 (0.46) CYP19A1NPC1RAB9ABCHEGGPS1
SCHEMBL32670361 0.69 CYP19A1 (0.43) CYP19A1NPC1RAB9ABCHELMNA
SCHEMBL3777940 0.67 CYP19A1 (0.66) CYP19A1NPC1RAB9AGGPS1PTGS2
SCHEMBL18625822 0.67 CYP19A1 (0.55) CYP19A1NPC1RAB9AGGPS1PTGS2
Bromide SCHEMBL1887515 0.66 CYP19A1 (0.64) CYP19A1NPC1RAB9AGGPS1PTGS2

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-9765064-B1 Alpha-hydroxy-beta-azido-tetrazoles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-19 — — US disclosed
US-9765064-B1 Alpha-hydroxy-beta-azido-tetrazoles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-19 — — US disclosed
US-9765064-B1 Alpha-hydroxy-beta-azido-tetrazoles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-19 — — US disclosed
US-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-14 — — US disclosed
US-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-14 — — US disclosed
US-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-14 — — US disclosed
EP-3216788-A1 ALPHA-HYDROXY-BETA-TRIAZOLO-TETRAZOLES Centre National De La Recherche Scientifique (FR) 2017-09-13 — — EP disclosed
EP-3216788-A1 ALPHA-HYDROXY-BETA-TRIAZOLO-TETRAZOLES Centre National De La Recherche Scientifique (FR) 2017-09-13 — — EP 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-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CYP8B1, HSD3B1, HSD17B1 CYP19A1 51/4885NPC1 1093/4885RAB9A 3435/4885

“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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