SCHEMBL7822251

SCHEMBL7822251

COc1cccc2occ(C(=O)Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.47
MAOA P21397 3/20 0.42
NQO1 P15559 1/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 1/20 0.40
KDM5A P29375 1/20 0.40
ESR2 Q92731 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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 SCHEMBL7822255 0.84 EDNRA (0.54) EDNRAMAOANQO1MAPTRAB9A
SCHEMBL4068851 0.84 EDNRA (0.47) EDNRAMAOANQO1MAPTRAB9A
SCHEMBL20480647 0.80 MAOB (0.56) EDNRAMAPTRAB9ANPC1ALDH1A1
SCHEMBL916641 0.73 EDNRA (0.46) EDNRAMAOANQO1MAPTRAB9A
SCHEMBL6218822 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL10669172 0.73 KDM4E (0.52) EDNRAMAOANQO1MAPTALDH1A1
SCHEMBL11881565 0.72 ALDH1A1 (0.54) MAOARAB9ANPC1ALDH1A1KDM4E
SCHEMBL914583 0.71 MAOA (0.44) EDNRAMAOANQO1MAPTRAB9A
SCHEMBL914152 0.71 TLR2 (0.49) EDNRAMAOANQO1MAPTRAB9A
SCHEMBL27863077 0.70 MAPT (0.55) MAPTALDH1A1KDM4EHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323217-B2 CARDIOVASCULAR DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-27 US disclosed
US-20010034352-A1 Piperidine-4 sulphonamide compounds LES LABORATOIRES SERVIER (FR) 2001-10-25 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-20010034352-A1 Piperidine-4 sulphonamide compounds KDR, GLS, FLT1 EDNRA 14/4885MAOA 2828/4885NQO1 2150/4885

“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.