SCHEMBL7793336

SCHEMBL7793336

COc1ccc2nc([C@H](O)[C@@H](O)c3nc4ccc(OC)cc4[nH]3)[nH]c2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
HPGD P15428 3/20 0.64
HTT P42858 2/20 0.64
USP2 O75604 2/20 0.64
ALPL P05186 1/20 0.59
ALPI P09923 1/20 0.59
ALPG P10696 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPC1 O15118 3/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HSD17B10 Q99714 1/20 0.54
IDO1 P14902 1/20 0.53

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
SCHEMBL29861059 1.00 ALDH1A1 (0.64) ALDH1A1HPGDHTTUSP2ALPL
SCHEMBL7740448 0.87 IDO1 (0.53) ALDH1A1HPGDHTTUSP2ALPL
SCHEMBL7793308 0.87 IDO1 (0.53) ALDH1A1HPGDHTTUSP2ALPL
SCHEMBL6978538 0.85 KDM4E (0.58) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL7508541 0.79 GRIN1 (0.57) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL9867054 0.78 ALDH1A1 (1.00) ALDH1A1HPGDHTTUSP2ALPL
SCHEMBL5951828 0.76 MEN1 (0.56) ALDH1A1HPGDHTTUSP2MEN1
SCHEMBL29439014 0.76 KDM4E (0.61) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL4371528 0.76 KDM4E (0.61) ALDH1A1HPGDHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL8565840 0.76 AAK1 (0.63) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010039291-A1 Compositions and methods of treatment for cancer or viral infections THE PROCTER & GAMBLE COMPANY 2001-11-08 US disclosed
US-6110953-A Pharmaceutical composition for inhibiting the growth of cancers THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed
EP-0954309-A1 HIV AND CANCER TREATMENT THE PROCTER & GAMBLE COMPANY (US) 1999-11-10 EP disclosed
WO-1998051303-A1 HIV AND CANCER TREATMENT THE PROCTER & GAMBLE COMPANY (US) 1998-11-19 WO disclosed
EP-0841920-A2 USE OF 1H-1,2,4-TRIAZOLE DERIVATIVES FOR INHIBITING THE GROWTH OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP disclosed
EP-0841914-A2 USE OF GRISEOFULVIN FOR INHIBITING THE GROWTH OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP disclosed
WO-1997005870-A2 USE OF GRISEOFULVIN FOR INHIBITING THE GROWTH OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1997-02-20 WO disclosed
WO-1997005872-A2 USE OF 1H-1,2,4-TRIAZOLE DERIVATIVES FOR INHIBITING THE GROWTH OF CANCERS THE PROCTER & GAMBLE COMPANY (US) 1997-02-20 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-20010039291-A1 Compositions and methods of treatment for cancer or viral infections TP53, HAVCR2, MAVS ALDH1A1 1764/4885HPGD 2672/4885HTT 3067/4885

“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.