SCHEMBL4902030

SCHEMBL4902030

CC(C)(C)ON(C=O)CCNC(=S)CCCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
ALOX5 P09917 2/20 0.38
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL6949347 0.76 TAAR1 (0.44) ALOX5NPC1RAB9AL3MBTL1MEN1
SCHEMBL7763429 0.70 MEN1 (0.41) LMNATSHRNPC1RAB9AALDH1A1
SCHEMBL7465544 0.69 CALM1 (0.41) LMNAALDH1A1CYP3A4MEN1KMT2A
SCHEMBL6369173 0.69 HDAC1 (0.46) HDAC1HDAC2HDAC8HDAC6NPC1
SCHEMBL6927537 0.67 POLB (0.40) POLBHDAC1HDAC2HDAC8HDAC6
SCHEMBL6376616 0.67 PPARA (0.44) LMNAALOX5L3MBTL1MEN1HTT
SCHEMBL942894 0.67 KMT2A (0.53) POLBHDAC1HDAC2HDAC8HDAC6
SCHEMBL12040736 0.66 EPHX2 (0.56) HDAC1HDAC2HDAC8HDAC6LMNA
SCHEMBL5741195 0.66 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPT
SCHEMBL7516432 0.65 MAPT (0.47) POLBHDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 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-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR POLB 2428/4885PLAAT3 1555/4885PLAAT5 2538/4885

“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.