SCHEMBL19636314

SCHEMBL19636314

NCc1ccc(-c2ccc(I)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.74
TAAR1 Q96RJ0 4/20 0.61
LOXL2 Q9Y4K0 3/20 0.48
CYP2A6 P11509 1/20 0.47
ADRB2 P07550 1/20 0.46
CYP3A4 P08684 2/20 0.46
IDO1 P14902 2/20 0.46
ABAT P80404 1/20 0.46
LTA4H P09960 1/20 0.45

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
SCHEMBL458481 0.92
Hydrochloric Acid SCHEMBL855336 0.89 HRH3 (0.55) HRH3TAAR1LOXL2CYP3A4IDO1
SCHEMBL2274647 0.86 HRH3 (1.00) HRH3TAAR1LOXL2CYP2A6ADRB2
SCHEMBL9305877 0.78 CYP3A4 (0.44) HRH3CYP3A4IDO1
SCHEMBL16848643 0.78 CYP3A4 (0.44) HRH3CYP3A4IDO1
SCHEMBL75931 0.76 METAP2 (0.42) CYP3A4IDO1
SCHEMBL2069523 0.76 METAP2 (0.42) CYP3A4IDO1
SCHEMBL66792 0.76 METAP2 (0.42) CYP3A4IDO1
SCHEMBL15828 0.76 HRH3 (0.79) HRH3TAAR1LOXL2ADRB2ABAT
SCHEMBL3787138 0.76 LOXL2 (0.83) HRH3TAAR1LOXL2CYP2A6ADRB2

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-20170335296-A1 HBV RNASE H PURIFICATION AND ENZYME INHIBITORS SAINT LOUIS UNIVERSITY (US) 2017-11-23 US disclosed
CN-103570620-B The luxuriant and rich with fragrance compounds of a kind of 1,12-imino group benzo [c], intermediate and preparation method and application 昆山维信诺显示技术有限公司 2016-06-15 CN disclosed
CN-103570620-A 1,12-iminobenzo[c]phenanthrene compound, intermediate, preparation method and application of compound KUNSHAN VISIONOX DISPLAY TECH 2014-02-12 CN 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-20170335296-A1 HBV RNASE H PURIFICATION AND ENZYME INHIBITORS RNASEH1, RNASE1, RNASEL HRH3 1045/4885TAAR1 4430/4885LOXL2 2865/4885

“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.