SCHEMBL29339779

SCHEMBL29339779

CCc1nn(Cc2ccc(OC)cc2)cc1C(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CYP19A1 P11511 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CACNA1G O43497 2/20 0.41
▸ CACNA1H O95180 2/20 0.41
▸ CACNA1I Q9P0X4 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ SLC5A2 P31639 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AADAT Q8N5Z0 1/20 0.38
▸ PDE1A P54750 2/20 0.37
▸ PDE1B Q01064 2/20 0.37
▸ PDE1C Q14123 2/20 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
SCHEMBL29339884 0.85 KMT2A (0.37) CYP1A2CYP2D6CYP2C19CYP19A1NPC1
SCHEMBL27162959 0.83 KMT2A (0.45) CYP1A2CYP2D6CYP2C19CYP19A1NPC1
SCHEMBL29975109 0.81 MAPT (0.47) CYP1A2CYP2D6CYP2C19NPC1RAB9A
SCHEMBL29340025 0.78 AADAT (0.34) NPC1RAB9AKMT2ACACNA1GCACNA1H
SCHEMBL27816056 0.77 CACNA1H (0.41) NPC1RAB9AKMT2ACACNA1GCACNA1H
SCHEMBL29339783 0.77 LTA4H (0.51) CYP1A2CYP2D6CYP2C19CYP19A1NPC1
SCHEMBL29339973 0.75 HTR1A (0.42) CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL27816057 0.74 KMT2A (0.39) CYP19A1NPC1RAB9AKMT2ACACNA1G
SCHEMBL4552450 0.74 MEN1 (0.45) CYP19A1NPC1RAB9AKMT2AMEN1
SCHEMBL370507 0.74 KMT2A (0.53) NPC1RAB9AKMT2ACACNA1GCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 — — US 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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 CYP1A2 649/4885CYP2D6 1242/4885CYP2C19 411/4885

“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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