SCHEMBL6001719

SCHEMBL6001719

CSc1ccc(-c2cc(Cl)c3ccccc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.50
▸ ABCC1 P33527 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.50
▸ ADORA1 P30542 1/20 0.49
▸ ESRRB O95718 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ ESRRA P11474 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ DHODH Q02127 4/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ HPGD P15428 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ ACHE P22303 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ ACACA Q13085 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ ACP1 P24666 2/20 0.43

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
SCHEMBL30592743 0.84 DHODH (0.58) ADORA1ESRRBESR1ESRRAESR2
SCHEMBL785473 0.84 ACHE (0.61) ADORA1ESRRBESR1ESRRAESR2
SCHEMBL29793367 0.84 ACHE (0.61) ADORA1ESRRBESR1ESRRAESR2
SCHEMBL6534330 0.83 ALDH1A1 (0.60) ADORA1ESRRBESR1ESRRAESR2
SCHEMBL6534331 0.82 NPC1 (0.54) ESRRBESR1ESRRAESR2DHODH
SCHEMBL6001382 0.80 CYP19A1 (0.60) ABCG2ESRRBESR1ESRRAESR2
SCHEMBL5795122 0.80 ESRRB (0.51) ADORA1ESRRBESR1ESRRAESR2
SCHEMBL6534318 0.79 MAPT (0.71) HPGDLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6534399 0.79 CYP3A4 (0.54) ADORA1ESRRBESR1ESRRAESR2
SCHEMBL29636789 0.79 MAPT (0.71) HPGDLMNASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 — — 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG ABCB1 2698/4885ABCC1 2721/4885ABCG2 2694/4885

“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.

Send feedback