SCHEMBL4263645

SCHEMBL4263645

Cc1ccc(-n2nc(-c3ccccc3Cl)cc2N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.61
SMN1; SMN2 Q16637 8/20 0.61
NPC1 O15118 8/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
MAPT P10636 4/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALDH1A1 P00352 3/20 0.61
STAT1 P42224 1/20 0.61
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 2/20 0.57
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL13737700 0.77 HSP90AA1 (0.49) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19
SCHEMBL1143708 0.76 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL13532154 0.74 NPC1 (0.61) RAB9ASMN1; SMN2NPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL3182589 0.73 NPC1 (0.60) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL13430440 0.73 RAB9A (0.43) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL6582639 0.73 RAB9A (1.00) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL21783119 0.72 RAB9A (0.61) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL2212356 0.71 PTGS1 (0.76) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL224624 0.71 CYP1A2 (0.72) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL17295136 0.71 FABP3 (0.49) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 RAB9A 1224/4885SMN1; SMN2 4473/4885NPC1 485/4885

“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.