SCHEMBL3938749

SCHEMBL3938749

CCOC(=O)C(N)Cc1n[nH]c2c(F)cccc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALOX5 P09917 2/20 0.37
▸ PTGES O14684 1/20 0.37
▸ PARP1 P09874 2/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ AR P10275 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3933897 0.85 KDM4E (0.46) ALDH1A1SMN1; SMN2KDM4ETSHRPOLB
SCHEMBL3945810 0.81 KDM4E (0.42) ALDH1A1SMN1; SMN2KDM4EKMT2ATSHR
SCHEMBL3944819 0.76 AR (0.37) SCN9AAR
SCHEMBL1065575 0.75 KMT2A (0.48) ALDH1A1SMN1; SMN2KDM4EKMT2ATSHR
SCHEMBL13122355 0.73 AR (0.43) PARP1AR
SCHEMBL20543771 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2APOLBSCN9A
SCHEMBL21117726 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2APOLBSCN9A
SCHEMBL7342562 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2APOLBSCN9A
Hydrochloric Acid SCHEMBL6379482 0.70 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2APOLBSCN9A
SCHEMBL6781351 0.69 KDM4E (0.54) ALDH1A1SMN1; SMN2KDM4E

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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 — — US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 — — WO 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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 ALDH1A1 388/4885SMN1; SMN2 2238/4885KDM4E 1126/4885

“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.

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