SCHEMBL6014059

SCHEMBL6014059

NC(=O)c1c(OCc2ccccc2)ccc([N+](=O)[O-])c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.48
CTSL P07711 3/20 0.48
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ABCB1 P08183 1/20 0.43
CYP19A1 P11511 1/20 0.43
BACE1 P56817 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CA9 Q16790 1/20 0.43
PARP10 Q53GL7 1/20 0.43

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
SCHEMBL6014050 0.93 CTSV (0.43) CTSVCTSLPOLBMEN1KMT2A
SCHEMBL6014056 0.80 MAPT (0.48) MAPTTDP1L3MBTL1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL891074 0.79 MAPT (0.47) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL27739041 0.79 CTSV (0.49) CTSVCTSLPOLBMEN1MAPT
SCHEMBL5594949 0.78 HTR1A (0.53) CTSVCTSLPOLBMEN1MAPT
SCHEMBL23628923 0.78 MYC (0.56) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL16004968 0.78 ABCB1 (0.59) CTSVCTSLPOLBMEN1MAPT
SCHEMBL5902009 0.78 CTSV (0.47) CTSVCTSLPOLBMEN1MAPT
SCHEMBL1165138 0.78 CTSV (0.47) CTSVCTSLPOLBMEN1MAPT
SCHEMBL6014051 0.76 TDP1 (0.67) POLBMAPTKMT2ATDP1L3MBTL1

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
EP-1697302-A1 COMPOUNDS FOR DIAGNOSIS, TREATMENT AND PREVENTION OF BONE INJURY AND METABOLIC DISORDERS University of Louisville Research Foundation (US) 2006-09-06 EP disclosed
WO-2005066114-A1 COMPOUNDS FOR DIAGNOSIS, TREATMENT AND PREVENTION OF BONE INJURY AND METABOLIC DISORDERS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION (US) 2005-07-21 WO disclosed
US-20050143366-A1 Compounds for diagnosis, treatment and prevention of bone injury and metabolic disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2005-06-30 US disclosed
WO-2000066613-A1 BONE TARGETING AGENTS FOR OSTEOPOROSIS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-11-09 WO 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-20050143366-A1 Compounds for diagnosis, treatment and prevention of bone injury and metabolic disorders SOST, BMP2, BMP4 CTSV 1468/4885CTSL 711/4885POLB 1565/4885

“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.