SCHEMBL4406664

SCHEMBL4406664

N[C@H](CO)C(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MARS2 Q96GW9 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
MMP2 P08253 3/20 0.52
RPLP1 P05386 1/20 0.50
RPLP0 P05388 1/20 0.50
RPS17 P08708 1/20 0.50
RPSA P08865 1/20 0.50
RPS2 P15880 1/20 0.50
RPL35A P18077 1/20 0.50
RPL7 P18124 1/20 0.50
RPL17 P18621 1/20 0.50
RPS4Y1 P22090 1/20 0.50
RPS3 P23396 1/20 0.50
RPS12 P25398 1/20 0.50
RPL13 P26373 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
SCHEMBL334444 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL725933 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL251728 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL29167395 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL12172739 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL14183583 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL4247918 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
SCHEMBL3912679 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
Hydrochloric Acid SCHEMBL11703545 0.98 ALDH1A1 (0.54) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2
Hydrochloric Acid SCHEMBL10626955 0.98 ALDH1A1 (0.54) ALDH1A1CYP3A4LMNASMN1; SMN2MARS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024153952-A1 COMPOUNDS FOR NUCLEIC ACID CLEAVAGE CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-07-25 WO disclosed
US-7807838-B2 Methods for the preparation of HCV polymerase inhibitors PFIZER INC. (US) 2010-10-05 US disclosed
EP-1430019-B1 SPHINGOLIPIDS YISSUM RES DEV CO (IL) 2009-12-30 EP disclosed
US-20090023921-A1 METHODS FOR THE PREPARATION OF HCV POLYMERASE INHIBITORS PFIZER INC 2009-01-22 US disclosed
US-7439400-B2 Amino alcohol ligand and its use in preparation of chiral proparglic tertiary alcohols and tertiary amines via enantioselective addition reaction SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2008-10-21 US disclosed
US-6756504-B2 ENZYME INHIBITORS OF VARIOUS LIPID- RELATED ENZYMES, REDUCING LIPID ACCUMULATION, ANTICANCER AGENTS, ANTIMALARIA AGENTS, ANTIPROTOZOA AGENTS, ANTILIPOLYTIC AGENTS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-06-29 US disclosed
US-20030133904-A1 Sphingolipids YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-07-17 US disclosed
US-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed
US-4373100-A ANIMAL FEEDS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-02-08 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-20090023921-A1 METHODS FOR THE PREPARATION OF HCV POLYMERASE INHIBITORS POLRMT, POLI, POLM ALDH1A1 789/4885CYP3A4 560/4885LMNA 2037/4885
US-20030133904-A1 Sphingolipids SMPD1, SMPD2, SGPL1 ALDH1A1 817/4885CYP3A4 2892/4885LMNA 613/4885

“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.