SCHEMBL5479280

SCHEMBL5479280

O=C1Cc2ccc(C(=O)CCl)cc2N1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
MAPT P10636 1/20 0.59
AHR P35869 4/20 0.54
CMA1 P23946 2/20 0.54
SMYD3 Q9H7B4 4/20 0.53
CRBN Q96SW2 3/20 0.52
HDAC6 Q9UBN7 1/20 0.52
EIF2AK2 P19525 1/20 0.49
EPHX2 P34913 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
TDP2 O95551 1/20 0.44
PDK2 Q15119 1/20 0.43
MGLL Q99685 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1304506 0.88 EPHX2 (0.59) ALDH1A1MAPTAHRSMYD3EPHX2
SCHEMBL17147656 0.86 CRBN (0.54) ALDH1A1MAPTAHRCMA1SMYD3
Hydrochloric Acid SCHEMBL7036110 0.85 EPHX2 (0.56) ALDH1A1MAPTAHRSMYD3EPHX2
Hydrochloric Acid SCHEMBL7036109 0.85 EPHX2 (0.56) ALDH1A1MAPTAHRSMYD3EPHX2
SCHEMBL10626074 0.83 CRBN (0.55) ALDH1A1MAPTAHRCMA1SMYD3
Hydrochloric Acid SCHEMBL6992917 0.83 SMYD3 (0.52) ALDH1A1MAPTAHRCMA1SMYD3
SCHEMBL24124675 0.82 AHR (0.59) AHRCMA1SMYD3CRBNHDAC6
SCHEMBL12694461 0.81 AHR (0.50) ALDH1A1MAPTAHRCMA1SMYD3
SCHEMBL3194345 0.80 SMYD3 (0.58) AHRCMA1SMYD3CRBNHDAC6
SCHEMBL398818 0.80 TDP2 (0.66) ALDH1A1AHRCMA1SMYD3CRBN

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-20070185168-A1 Piperidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-08-09 US disclosed
EP-1736474-A1 PIPERIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-12-27 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-20070185168-A1 Piperidine derivatives GRIN2C, GRIN1, GRIN3A ALDH1A1 2111/4885MAPT 4020/4885AHR 861/4885

“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.