SCHEMBL4017287

SCHEMBL4017287

O=C(O)C1Cc2ccc(Cl)cc2C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.44
P2RX7 Q99572 1/20 0.43
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
HSP90AA1 P07900 1/20 0.41
PNMT P11086 3/20 0.40
MAPT P10636 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AADAT Q8N5Z0 2/20 0.38

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
SCHEMBL29958290 0.86 NOTUM (0.43) NOTUMSRD5A1SRD5A2MAPT
SCHEMBL27033717 0.86 NOTUM (0.43) NOTUMSRD5A1SRD5A2MAPT
SCHEMBL11365170 0.83 SRD5A2 (0.49) SRD5A1SRD5A2MAPTTSHR
SCHEMBL9370418 0.82 DRD2 (0.46)
SCHEMBL11372312 0.81 ALDH1A1 (0.45) NOTUMSRD5A1SRD5A2MAPTALDH1A1
SCHEMBL27746576 0.80 P2RX7 (0.41) NOTUMP2RX7SRD5A1SRD5A2HSP90AA1
SCHEMBL29174303 0.80 SIRT1 (0.48) NOTUMSRD5A1SRD5A2MAPT
SCHEMBL11365904 0.80 PARP1 (0.42) NOTUMALDH1A1
SCHEMBL6998660 0.79 NOTUM (0.41) NOTUMTSHR
SCHEMBL4016019 0.79 KMT2A (0.47) P2RX7MAPTSLC6A4ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
US-6057335-A Pyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C NOTUM 247/4885P2RX7 488/4885SRD5A1 1866/4885

“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.