SCHEMBL19323265

SCHEMBL19323265

C[C@H](N)c1ncc(-c2ccc(Br)cc2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.44
▸ EGFR P00533 3/20 0.43
▸ PTGES O14684 1/20 0.41
▸ SCN10A Q9Y5Y9 3/20 0.40
▸ SCN5A Q14524 2/20 0.40
▸ NLN Q9BYT8 2/20 0.40
▸ MASP2 O00187 1/20 0.40

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
SCHEMBL19324126 0.87 TRPV1 (0.42) TRPV1EGFRPTGESSCN10ASCN5A
SCHEMBL16355448 0.85 SCN10A (0.41) EGFRSCN10ASCN5ANLN
SCHEMBL20900023 0.83 EGFR (0.46) EGFRSCN10ASCN5ANLN
SCHEMBL20900024 0.83 EGFR (0.46) EGFRSCN10ASCN5ANLN
SCHEMBL18480825 0.83 MASP2 (0.55) MASP2
SCHEMBL20900140 0.83 MASP2 (0.55) MASP2
Hydrochloric Acid SCHEMBL18438992 0.81 MASP2 (0.53) MASP2
SCHEMBL16355449 0.81 PTGES (0.43) TRPV1EGFRPTGES
SCHEMBL10254066 0.81 HPGDS (0.49) SCN10ASCN5ANLN
SCHEMBL16355444 0.81 PTGES (0.43) TRPV1EGFRPTGES

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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 — — 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC TRPV1 3957/4885EGFR 1038/4885PTGES 1338/4885

“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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