SCHEMBL5312877

SCHEMBL5312877

O=C(CS)CCCCCC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.61
TSHR P16473 2/20 0.57
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 2/20 0.55
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 2/20 0.53
CHRNB2 P17787 3/20 0.53
CHRNB4 P30926 3/20 0.53
CHRNA3 P32297 3/20 0.53
CHRNA4 P43681 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL5315547 0.99 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10KDM4ECYP3A4
SCHEMBL5308328 0.84 HDAC3 (0.61) ALDH1A1KDM4EKMT2ACHRNB2CHRNB4
SCHEMBL5308137 0.83 MEN1 (0.60) ALDH1A1KDM4EKMT2ACHRNB2CHRNB4
SCHEMBL5461588 0.76 HDAC1 (0.58) ALDH1A1KMT2APOLBMAPTMEN1
SCHEMBL20964516 0.75 ALDH1A1 (0.68) ALDH1A1TSHRHSD17B10KDM4ECYP3A4
SCHEMBL5334215 0.74 SLC27A1 (0.58) ALDH1A1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL5314683 0.73 MEN1 (0.62) ALDH1A1KDM4EKMT2ACHRNB2CHRNB4
SCHEMBL5605575 0.72 MEN1 (0.63) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL5421106 0.72 KCNA5 (0.52) KMT2ALMNASMN1; SMN2
SCHEMBL5333039 0.72 KDM4E (0.57) ALDH1A1HSD17B10KDM4EKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 US claimed
WO-2007045962-A2 NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 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-20070088043-A1 Novel HDAC inhibitors HDAC1, HDAC11, HDAC5 ALDH1A1 681/4885TSHR 3776/4885HSD17B10 502/4885

“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.