SCHEMBL3104435

SCHEMBL3104435

CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.66
NPC1 O15118 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
LMNA P02545 3/20 0.65
POLB P06746 2/20 0.65
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
TSHR P16473 1/20 0.62
MAPT P10636 6/20 0.58
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 2/20 0.56
HTT P42858 2/20 0.55
ALPL P05186 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL3107530 0.85 MAPT (0.52) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL5180766 0.84 TSHR (0.66) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL1418448 0.84 CTSK (0.54) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL385099 0.83 TSHR (0.68) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL1417655 0.82 HCAR3 (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL2336341 0.82 HCAR3 (0.58) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL13091483 0.82 SMN1; SMN2 (0.66) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL10768291 0.82 L3MBTL1 (0.77) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL3116351 0.82 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL3107502 0.81 PRMT5 (0.56) RAB9ANPC1LMNAPOLBMEN1

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
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 RAB9A 2959/4885NPC1 2145/4885SMN1; SMN2 4399/4885

“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.