SCHEMBL4981271

SCHEMBL4981271

NC(=O)N(S)c1ccc2c(c1)Cc1cc(NCCCc3ccccc3)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MCL1 Q07820 1/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
MAPK14 Q16539 1/20 0.37
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3977999 0.87 MAOA (0.44) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4980991 0.86 ALOX5 (0.39) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4979290 0.85 RAB9A (0.43) NPC1RAB9AMAPK1SLC1A3SLC1A2
SCHEMBL3981682 0.82 RAB9A (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4982646 0.82 KDM4E (0.44) PIK3CDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3982917 0.80 CRHBP (0.42) MAPK1CYP1A2HTR2CHTR2B
SCHEMBL4982495 0.80 RAB9A (0.47) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4982692 0.79 KMT2A (0.44) PIK3CDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4979092 0.78 KMT2A (0.43) PIK3CDSMN1; SMN2ALDH1A1MAPTALOX15
SCHEMBL3979321 0.78 KMT2A (0.43) PIK3CDSMN1; SMN2ALDH1A1MAPTALOX15

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 PIK3CD 3504/4885NPC1 1677/4885RAB9A 2434/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 PIK3CD 3461/4885NPC1 1372/4885RAB9A 2430/4885

“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.