SCHEMBL6477913

SCHEMBL6477913

O=C(OCc1ccccc1)N1CCN(c2ccc(-c3nnn(CCO)n3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ME2 P23368 2/20 0.44
▸ ME1 P48163 2/20 0.44
▸ ME3 Q16798 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.42

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
SCHEMBL6478510 0.89 HDAC1 (0.53) MAOBHDAC1CYP1A2CYP2C9CYP2C19
SCHEMBL6489304 0.80 HDAC1 (0.55) HDAC1CYP2C19SMN1; SMN2ALDH1A1LMNA
SCHEMBL6350032 0.78 ME2 (0.70) HDAC1CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL6478335 0.76 HDAC1 (0.61) HDAC1CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL13981711 0.76 HDAC1 (0.67) HDAC1CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL6488537 0.74 GPR119 (0.45) MAOB
SCHEMBL8148183 0.74 HDAC1 (0.53) HDAC1CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL6478140 0.74 MEN1 (0.40) MAOBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL6349901 0.74 HDAC1 (0.59) HDAC1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL15331084 0.74 HDAC1 (0.59) HDAC1CYP2C9CYP2C19SMN1; SMN2ALDH1A1

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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 — — US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 — — 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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 MAOB 3226/4885HDAC1 211/4885CYP1A2 4369/4885

“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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