SCHEMBL2522178

SCHEMBL2522178

NCc1c(CC(=O)O)c(=O)oc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NQO1 P15559 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
ABCB11 O95342 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PDE4D Q08499 1/20 0.50
PCSK7 Q16549 1/20 0.50
GPR35 Q9HC97 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2028247 0.94 ALDH1A1 (0.50) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL10349945 0.87 ALDH1A1 (0.49) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL28719517 0.86 NQO1 (0.55) ALDH1A1NQO1MEN1KMT2ALMNA
Zinc Ion SCHEMBL29660558 0.85 ALDH1A1 (0.48) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL3931144 0.83 GAA (0.57) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL10638322 0.83 NQO1 (0.73) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL307859 0.80 CA12 (0.60) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL10710132 0.80 CA12 (0.49) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL429446 0.77 GAA (0.52) ALDH1A1NQO1MEN1KMT2ALMNA
SCHEMBL21082995 0.77 NQO1 (0.48) ALDH1A1NQO1MEN1KMT2ALMNA

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
WO-2017182580-A1 METHODS FOR THE DIAGNOSIS AND THE TREATMENT OF REPRODUCTION-RELATED DISORDERS AND METHODS FOR CONTRACEPTION INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-10-26 WO disclosed
EP-3159316-A1 GLASPRODUKT, VERFAHREN ZUM HERSTELLEN EINES LACKIERTEN GLASPRODUKTS SOWIE LACKMATERIAL ZUM AUFBRINGEN AUF EIN GLASPRODUKT J.W. Ostendorf GmbH & Co. KG. (DE) 2017-04-26 EP disclosed
US-8039648-B2 Compounds used as dyes comperable to Alexa Fluor 350 dyes PIERCE BIOTECHNOLOGY, INC. (US) 2011-10-18 US disclosed
US-20100317045-A1 COMPOUNDS USED AS DYES COMPERABLE TO ALEXA FLUOR 350 DYES PIERCE BIOTECHNOLOGY, INC. (US) 2010-12-16 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-20100317045-A1 COMPOUNDS USED AS DYES COMPERABLE TO ALEXA FLUOR 350 DYES ACR, RO60, ARF5 ALDH1A1 3177/4885NQO1 2148/4885MEN1 844/4885

“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.