SCHEMBL3148643

SCHEMBL3148643

CSc1ccc(C=O)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 5/20 0.47
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
HSD17B10 Q99714 3/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRIM24 O15164 1/20 0.35
TYR P14679 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL6894572 0.84 ALDH1A1 (0.47) TDP1ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL27293211 0.80 ALDH1A1 (0.43) TDP1ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL20535403 0.78 TDP1 (0.53) TDP1ALDH1A1KMT2AMAPTERN1
SCHEMBL2800253 0.78 ALDH1A1 (0.48) TDP1ALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL3143864 0.78 ALDH1A1 (0.48) TDP1ALDH1A1CYP1A2HSD17B10MAPT
SCHEMBL27290683 0.77 CYP1A1 (0.49) ALDH1A1CYP1A1CYP1A2CYP1B1HSD17B10
SCHEMBL6074932 0.77 CYP1A2 (0.58) ALDH1A1CYP1A2KMT2AMAPTHTT
SCHEMBL23754494 0.76 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPTTSHRHPGD
SCHEMBL5776519 0.76 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPTTSHRHPGD
SCHEMBL8322156 0.76 TYR (0.52) ALDH1A1TRIM24TYRTRIM33MCL1

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-8420810-B2 Bicyclic heterocyclic compound Ono Pharmaceutical, Co., Ltd. (JP) 2013-04-16 US disclosed
US-20100137318-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-03 US disclosed
EP-2154139-A1 BICYCLIC HETEROCYCLIC COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2010-02-17 EP disclosed
EP-0524018-B1 Isoxazole herbicides RHONE POULENC AGRICULTURE (GB) 2000-10-18 EP disclosed
CN-1039081-C New herbicides RHONE POULENC AGRICULTURE (GB) 1998-07-15 CN disclosed
US-5424276-A Herbicidal 4-acyl-5-pyridylisoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1995-06-13 US disclosed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US disclosed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 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 (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-20100137318-A1 BICYCLIC HETEROCYCLIC COMPOUND CRH, CRHR1, NR3C2 TDP1 2485/4885ALDH1A1 1435/4885CYP1A1 302/4885

“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.