SCHEMBL9996110

SCHEMBL9996110

O=C(Cn1ccnc1)c1ccc(I)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.72
ALPG P10696 2/20 0.64
ALPI P09923 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
PLAA Q9Y263 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP51A1 Q16850 1/20 0.62
CYP11B1 P15538 2/20 0.58
CYP11B2 P19099 2/20 0.58

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
SCHEMBL27559825 0.88 CYP19A1 (0.79) CYP19A1ALPGALPITDP1PLAA
SCHEMBL13979176 0.85 CYP19A1 (0.74) CYP19A1ALPGALPITDP1PLAA
SCHEMBL10247467 0.84 CYP19A1 (0.72) CYP19A1ALPGALPITDP1PLAA
SCHEMBL9663730 0.84 CYP19A1 (1.00) CYP19A1ALPGALPITDP1PLAA
SCHEMBL10247597 0.84 CYP19A1 (0.72) CYP19A1ALPGALPITDP1PLAA
SCHEMBL7241260 0.84 CYP19A1 (0.72) CYP19A1ALPGALPITDP1PLAA
SCHEMBL10247505 0.84 CYP19A1 (0.72) CYP19A1ALPGALPITDP1PLAA
SCHEMBL1509735 0.83 CYP19A1 (0.71) CYP19A1ALPGALPITDP1PLAA
Hydrochloric Acid SCHEMBL9996091 0.83 CYP19A1 (0.70) CYP19A1ALPGALPITDP1PLAA
Hydrochloric Acid SCHEMBL412588 0.83 CYP19A1 (0.70) CYP19A1ALPGALPITDP1PLAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US claimed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 CYP19A1 884/4885ALPG 715/4885ALPI 1647/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 CYP19A1 641/4885ALPG 397/4885ALPI 2096/4885

“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.