SCHEMBL17268604

SCHEMBL17268604

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nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.30
HPGD P15428 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30

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
SCHEMBL7031752 0.81 LMNA (0.34) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL13640136 0.80 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1ITGB1ITGA4
SCHEMBL17268636 0.80 CYP1A2 (0.33) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7024731 0.79 LMNA (0.33) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL15726059 0.78 METAP2 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL7030186 0.77 CA1 (0.42) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7034586 0.75 SMN1; SMN2 (0.33) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL14353167 0.74 LMNA (0.45) LMNAALDH1A1TSHRHPGD
SCHEMBL7460510 0.74 LMNA (0.36) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL11885262 0.73 GAA (0.38) CYP2C9CYP2C19HTTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125986-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents SATYAM APPARAO (IN) 2018-05-10 US disclosed
US-9844599-B2 Nitric oxide releasing produgs of therapeutic agents SATYAM APPARAO (IN) 2017-12-19 US disclosed
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents SATYAM APPARAO (IN) 2015-11-19 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 (2 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-20180125986-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents NOS2, NOS1, NOS3 CYP1A2 138/4885CYP2C9 230/4885CYP2C19 78/4885
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents NOS2, NOS1, PTGIS CYP1A2 164/4885CYP2C9 294/4885CYP2C19 91/4885

“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.