SCHEMBL4252173

SCHEMBL4252173

O=C(NCCOc1ccc(C(=S)NO)cc1)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.49
BRAF P15056 1/20 0.48
NPC1 O15118 4/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
PTAFR P25105 2/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SMPD1 P17405 1/20 0.47

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
SCHEMBL447228 0.91 SMPD1 (0.55) MAPTLMNAALDH1A1TSHRBRAF
SCHEMBL4257493 0.89 ALDH1A1 (0.60) MAPTLMNAALDH1A1NPC1CYP3A4
SCHEMBL4257484 0.84 NPC1 (0.61) MAPTLMNAALDH1A1NPC1CYP3A4
SCHEMBL4250976 0.82 NPC1 (0.54) NPC1CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL4257390 0.81 NPC1 (0.71) MAPTNPC1POLBRAB9AHPGD
SCHEMBL445616 0.81 MAPT (0.62) MAPTLMNAALDH1A1TSHRNPC1
SCHEMBL4250312 0.78 LMNA (0.50) MAPTLMNAALDH1A1TSHRNPC1
SCHEMBL4251239 0.78 POLB (0.49) MAPTLMNAALDH1A1TSHRNPC1
SCHEMBL4251985 0.77 SMN1; SMN2 (0.58) MAPTLMNAALDH1A1PTAFRRAB9A
SCHEMBL4250481 0.77 NPC1 (0.73) MAPTLMNAALDH1A1NPC1CYP3A4

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 MAPT 2673/4885LMNA 2081/4885ALDH1A1 601/4885

“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.