SCHEMBL4815319

SCHEMBL4815319

O=C(O)Cc1cc(Cl)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
GRIA2 P42262 1/20 0.50
VCAM1 P19320 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CXCR2 P25025 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
AKR1B1 P15121 2/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4811478 1.00 CYP1A2 (0.53) CYP1A2GRIA2VCAM1CYP3A4ALDH1A1
SCHEMBL2211091 0.90 CYP1A2 (0.57) CYP1A2GRIA2VCAM1CYP3A4ALDH1A1
SCHEMBL5631882 0.88 CYP1A2 (0.58) CYP1A2GRIA2VCAM1CYP3A4ALDH1A1
SCHEMBL19182411 0.85 CYP1A2 (0.49) CYP1A2GRIA2VCAM1CYP3A4ALDH1A1
SCHEMBL14809875 0.85 CYP1A2 (0.49) CYP1A2GRIA2ALDH1A1TSHRNPC1
SCHEMBL19180352 0.85 CYP1A2 (0.49) CYP1A2GRIA2VCAM1CYP3A4ALDH1A1
SCHEMBL10509942 0.85 ALDH1A1 (0.44) CYP1A2GRIA2VCAM1CYP3A4ALDH1A1
SCHEMBL4276693 0.82 CYP1A2 (0.49) CYP1A2GRIA2VCAM1CYP3A4ALDH1A1
SCHEMBL19180992 0.82 RAB9A (0.46) CYP1A2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL19182419 0.81 SIGMAR1 (0.47) GRIA2VCAM1CYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345179-B2 Process for producing pyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-18 US disclosed
US-20070105935-A1 Process for producing pyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US disclosed
EP-1623975-A1 PROCESS FOR PRODUCING PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-08 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-20070105935-A1 Process for producing pyrrolidine derivative ACSL4, ALDH18A1, LTA CYP1A2 223/4885GRIA2 1772/4885VCAM1 54/4885

“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.