SCHEMBL6631327

SCHEMBL6631327

CCOC(=O)c1cnc(SC)nc1NNC(=O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SYK P43405 2/20 0.56
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
LMNA P02545 1/20 0.53
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
FOS P01100 2/20 0.51
JUN P05412 2/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL6632274 0.85 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2POLBTDP1
SCHEMBL16274792 0.83 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2POLBTDP1
SCHEMBL445955 0.83 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2POLBTDP1
SCHEMBL6631142 0.82 ALDH1A1 (0.64) ALDH1A1MAPTSMN1; SMN2POLBTDP1
SCHEMBL6623774 0.82 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2POLBTDP1
SCHEMBL6633102 0.81 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2POLBTDP1
SCHEMBL6631911 0.80 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2POLBTDP1
SCHEMBL1313596 0.80 SYK (0.79) ALDH1A1MAPTSMN1; SMN2POLBTDP1
SCHEMBL25829315 0.80 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2POLBTDP1
SCHEMBL6631793 0.80 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2POLBTDP1

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
EP-1430898-A1 RECEPTOR ANTAGONIST KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-23 EP disclosed
US-20040110826-A1 Receptor Antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-10 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-20040110826-A1 Receptor Antagonists ADRA2C, OPRL1, ADRB1 ALDH1A1 1430/4885MAPT 2392/4885SMN1; SMN2 2635/4885

“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.