SCHEMBL22051901

SCHEMBL22051901

CC(c1ccc(N)cc1)(c1ccc(N)cc1)c1cnc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ASIC3 Q9UHC3 1/20 0.46
▸ CYP19A1 P11511 3/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.42
▸ CYP17A1 P05093 13/20 0.41
▸ CYP3A4 P08684 11/20 0.41
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HRH4 Q9H3N8 1/20 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
SCHEMBL22050655 0.84 CYP17A1 (0.49) ASIC3CYP19A1CYP17A1CYP3A4
SCHEMBL22862144 0.73 MGLL (0.43) CYP19A1CYP17A1CYP3A4ALDH1A1MAPK1
SCHEMBL2202087 0.71 ALDH1A1 (0.52) CYP19A1CYP3A4NPC1ALDH1A1MAPT
SCHEMBL2626828 0.67 CYP3A4 (0.50) CYP19A1HRH3CYP17A1CYP3A4ALDH1A1
SCHEMBL27617871 0.66 — —
SCHEMBL19800933 0.66 — —
SCHEMBL14415970 0.66 HRH4 (0.44) HRH3ALDH1A1HRH4
SCHEMBL8476034 0.66 CYP19A1 (0.41) CYP19A1CYP17A1CYP3A4ALDH1A1HRH4
SCHEMBL20869792 0.65 ALDH1A1 (0.46) CYP19A1CYP3A4NPC1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL25371613 0.64 HRH4 (0.43) HRH3ALDH1A1HRH4

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-20200172470-A1 NOVEL (POLY)AMINE COMPOUND, RESIN AND CURED PRODUCT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-06-04 — — 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-20200172470-A1 NOVEL (POLY)AMINE COMPOUND, RESIN AND CURED PRODUCT PAM, CBR1, KDM1A ASIC3 1685/4885CYP19A1 117/4885HRH3 281/4885

“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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