SCHEMBL6696812

SCHEMBL6696812

NC=CNc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
GAA P10253 3/20 0.48
CA12 O43570 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
ALDH1A1 P00352 6/20 0.47
TSHR P16473 4/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 4/20 0.47
CYP3A4 P08684 3/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
CDC25B P30305 1/20 0.47
ATM Q13315 1/20 0.47

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
Hydrochloric Acid SCHEMBL27946264 0.98 ALDH1A1 (0.49) KDM4EGAACA12CA14CA3
Hydrochloric Acid SCHEMBL3159285 0.98 ALDH1A1 (0.49) KDM4EGAACA12CA14CA3
SCHEMBL1755233 0.78 KEAP1 (0.46) KDM4EGAACA12CA14CA3
SCHEMBL4652710 0.77 TSHR (0.48) KDM4EGAACA12CA14CA3
SCHEMBL20715566 0.77 ALDH1A1 (0.44) KDM4EGAACA12CA14CA3
SCHEMBL3072881 0.77 KDM4E (0.59) KDM4EGAACA12CA14CA4
SCHEMBL3070481 0.77 ALDH1A1 (0.53) KDM4EGAACA12CA14CA3
SCHEMBL3072884 0.77 KDM4E (0.59) KDM4EGAACA12CA14CA4
SCHEMBL3070479 0.77 ALDH1A1 (0.53) KDM4EGAACA12CA14CA3
SCHEMBL4632499 0.76 ALDH1A1 (0.47) KDM4EGAACA12CA14CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106497797-B Extract of fungus culture and preparation method and application thereof 深圳大学 2020-02-07 CN disclosed
US-6723710-B2 BORON GROUP-SUBSTITUTED ACYCLIC ALPHA AMINO ACIDS ARE USEFUL FOR INHIBITING A VARIETY OF ARINASE- AND NO SYNTHASE-RELATED DISORDERS, INCLUDING HEART DISEASE, GASTROINTESTINAL MOTILITY DISORDERS, AND PENILE ERECTILE DYSFUNCTION IN HUMANS. THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2004-04-20 US disclosed
US-20040063666-A1 Compositions for inhibiting arginase activity NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2004-04-01 US disclosed
CN-1458514-A Nitrite detection test paper and its preparing method HYGIENICS & ENVIRONMENT MEDICI (CN) 2003-11-26 CN disclosed
US-20030036529-A1 Compositions and methods for inhibiting arginase activity THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2003-02-20 US disclosed
US-6387890-B1 CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; SEXUAL DISORDERS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2002-05-14 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-20040063666-A1 Compositions for inhibiting arginase activity ARG1, PDE3A, ARG2 KDM4E 713/4885GAA 165/4885CA12 2970/4885

“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.