SCHEMBL4977161

SCHEMBL4977161

NC(=O)C1c2c[c]ccc2-c2ccc(NC(N)=S)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
IDO1 P14902 1/20 0.35
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.32
TYR P14679 1/20 0.32
TSHR P16473 1/20 0.32
TAS2R38 P59533 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL2763555 0.73 ATM (0.46) ALDH1A1KMT2AHSD17B10GAALMNA
SCHEMBL3117207 0.63 ALDH1A1 (0.60) ALDH1A1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL14228469 0.62 KMT2A (0.37) ALDH1A1IDO1KMT2ASMN1; SMN2CYP1A2
SCHEMBL20771373 0.61 NPC1 (0.48) ALDH1A1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL725810 0.60 ALDH1A1 (0.75) ALDH1A1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4088965 0.60 CYP1A2 (0.62) ALDH1A1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL31105801 0.59 KDM4E (0.47) ALDH1A1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL526255 0.59 GAA (0.67) ALDH1A1IDO1KMT2AGAAMAPT
SCHEMBL29838484 0.59 GAA (0.67) ALDH1A1IDO1KMT2AGAAMAPT
SCHEMBL3482954 0.58 NT5E (0.44) ALDH1A1KMT2ASMN1; SMN2CYP1A2CYP2C19

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-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 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 (2 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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 ALDH1A1 820/4885IDO1 2383/4885KMT2A 1846/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 ALDH1A1 500/4885IDO1 1748/4885KMT2A 2203/4885

“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.