SCHEMBL856389

SCHEMBL856389

CCCCCCCn1cc(CNc2ccc(C(C)C)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 2/20 0.40
ALOX12 P18054 2/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
FLT1 P17948 2/20 0.40
KDR P35968 2/20 0.40
EPHX1 P07099 1/20 0.39
JAK3 P52333 1/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 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
SCHEMBL854697 0.84 JAK3 (0.47) NPC1RAB9APOLBMAPTGAA
SCHEMBL854987 0.78 NPBWR1 (0.46) NPC1RAB9APOLBMAPTGAA
SCHEMBL24611400 0.77 KDR (0.39) L3MBTL1KDR
SCHEMBL25123375 0.77 KDR (0.39) L3MBTL1KDR
SCHEMBL15000464 0.77 KDR (0.39) L3MBTL1KDR
SCHEMBL15000459 0.75 L3MBTL1 (0.39) L3MBTL1KDR
SCHEMBL856262 0.73 PTGDR2 (0.41) NPC1RAB9APOLBMAPTGAA
SCHEMBL855917 0.71 NPC1 (0.39) NPC1RAB9APOLBMAPTGAA
SCHEMBL24974335 0.71 L3MBTL1 (0.36) L3MBTL1KDR
SCHEMBL1843101 0.71 SMN1; SMN2 (0.45) NPC1RAB9APOLBMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 EP 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 NPC1 2296/4885RAB9A 2045/4885POLB 2687/4885

“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.