SCHEMBL26529157

SCHEMBL26529157

N#Cc1cc([N+](=O)[O-])c(Cl)c2c1CCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.53
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
CYP3A4 P08684 2/20 0.40
GRIA1 P42261 2/20 0.40
GRIA2 P42262 2/20 0.40
GRIA3 P42263 2/20 0.40
GRIA4 P48058 2/20 0.40
ALOX15 P16050 2/20 0.40
GRM6 O15303 1/20 0.40

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
SCHEMBL26530361 0.83 VCAM1 (0.51) VCAM1MAPTALDH1A1HTTMEN1
SCHEMBL26529162 0.81 MAPT (0.47) VCAM1MAPTALDH1A1HTTMEN1
SCHEMBL11571620 0.75 VCAM1 (0.58) VCAM1MAPTALDH1A1HTTMEN1
SCHEMBL11504122 0.73 VCAM1 (0.64) VCAM1MAPTALDH1A1HTTMEN1
SCHEMBL31419521 0.73 VCAM1 (0.64) VCAM1MAPTALDH1A1HTTMEN1
SCHEMBL7640581 0.72 MAPT (0.58) VCAM1MAPTALDH1A1HTTMEN1
SCHEMBL26530279 0.72 VCAM1 (0.50) VCAM1MAPTALDH1A1HTTMEN1
SCHEMBL7642508 0.72 VCAM1 (0.58) VCAM1MAPTALDH1A1HTTMEN1
SCHEMBL4665872 0.71 VCAM1 (0.58) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL11317498 0.71 VCAM1 (0.53) VCAM1MAPTALDH1A1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-10-12 US 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-20230322745-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CYP3A43, ABCB1, ABCB11 VCAM1 4853/4885MAPT 1674/4885ALDH1A1 1065/4885

“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.