SCHEMBL5248250

SCHEMBL5248250

CCOC(=O)c1cnc(Cl)nc1Sc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
POLB P06746 3/20 0.72
TDP1 Q9NUW8 2/20 0.72
MAPT P10636 7/20 0.60
HPGD P15428 3/20 0.60
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
FOS P01100 1/20 0.48
JUN P05412 1/20 0.48

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
SCHEMBL11014069 0.84 ALDH1A1 (1.00) ALDH1A1POLBTDP1MAPTHPGD
SCHEMBL762386 0.81 MAPT (0.58) ALDH1A1POLBTDP1MAPTHPGD
SCHEMBL8397656 0.78 ALDH1A1 (0.74) ALDH1A1POLBTDP1MAPTHPGD
SCHEMBL8395110 0.77 ALDH1A1 (0.50) ALDH1A1POLBTDP1MAPTHPGD
SCHEMBL8396997 0.76 RAB9A (0.53) ALDH1A1POLBMAPTHPGDSMN1; SMN2
SCHEMBL26984232 0.76 CYP1A2 (0.72) ALDH1A1POLBTDP1MAPTHPGD
SCHEMBL29922173 0.75 ALDH1A1 (0.59) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL3435395 0.75 RAB9A (0.53) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL31391972 0.75 RAB9A (0.53) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL476310 0.75 ALDH1A1 (0.59) ALDH1A1MAPTHPGDSMN1; SMN2LMNA

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
EP-1219609-B1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO (JP) 2007-04-04 EP disclosed
US-6797709-B2 SEXUAL DISORDERS TANABE SEIYAKU CO., LTD. (JP) 2004-09-28 US disclosed
US-20030229095-A1 Sexual disorders TANABE SEIYAKU CO., LTD. 2003-12-11 US disclosed
US-6656935-B2 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis TANABE SEIYAKU CO., LTD. (JP) 2003-12-02 US disclosed
US-20030032647-A1 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis MITSUBISHI TANABE PHARMA CORPORATION (JP) 2003-02-13 US disclosed
EP-1219609-A1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2002-07-03 EP 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-20030032647-A1 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis PDE3A, PDE3B, PDE2A ALDH1A1 4298/4885POLB 1556/4885TDP1 364/4885
US-20030229095-A1 Sexual disorders PDE3B, PDE3A, PDE2A ALDH1A1 2135/4885POLB 1347/4885TDP1 243/4885

“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.