SCHEMBL15380809

SCHEMBL15380809

COC(=O)[C@H](Cc1ccccc1)N[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
ALDH1A1 P00352 2/20 0.55
THRB P10828 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 1/20 0.53
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
ANPEP P15144 1/20 0.50

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
SCHEMBL25301790 1.00 ATM (0.56) ATMALDH1A1THRBCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7600824 0.98 ATM (0.55) ATMALDH1A1THRBCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7600821 0.98 ATM (0.55) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL28009571 0.88 MMP8 (0.52)
SCHEMBL28009569 0.88 MMP8 (0.52)
SCHEMBL28209566 0.87 CTSL (0.49) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL28209567 0.87 CTSL (0.49) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL22557991 0.87 ESR1 (0.54) ALDH1A1
SCHEMBL93589 0.84 CPA1 (0.54)
SCHEMBL414333 0.84 CPA1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107935875-A A kind of synthetic method of melphalan 兆科药业(广州)有限公司 2018-04-20 CN claimed
US-20230218710-A1 METHOD OF TREATING CORONAVIRUS INFECTIONS COHBAR, INC. 2023-07-13 US disclosed
US-8961928-B2 Ligand and metal complex having the same NATIONAL CHIAO TUNG UNIVERSITY (TW) 2015-02-24 US disclosed
US-20130303728-A1 LIGAND AND METAL COMPLEX HAVING THE SAME NATIONAL CHIAO TUNG UNIVERSITY (TW) 2013-11-14 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-20130303728-A1 LIGAND AND METAL COMPLEX HAVING THE SAME MMP12, MMEL1, PLAT ATM 4052/4885ALDH1A1 4816/4885THRB 2440/4885

“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.