SCHEMBL3107530

SCHEMBL3107530

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
LMNA P02545 2/20 0.52
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
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
GPR35 Q9HC97 1/20 0.47
MEN1 O00255 2/20 0.47

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
SCHEMBL3116351 0.88 ALDH1A1 (0.50) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL28079519 0.86 LMNA (0.63) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL3104435 0.85 RAB9A (0.66) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL1418448 0.84 CTSK (0.54) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL17486764 0.83 GPR35 (0.51) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL28512713 0.83 ALDH1A1 (0.55) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL2336341 0.82 HCAR3 (0.58) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL1417655 0.82 HCAR3 (0.51) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL16065199 0.82 MAPT (0.59) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL3107502 0.81 PRMT5 (0.56) MAPTLMNACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956219-B2 Amino acid analogues Baker IDI Heart and Diabetes (AU) 2011-06-07 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 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 MAPT 4724/4885LMNA 2020/4885CYP1A2 418/4885

“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.