SCHEMBL4523631

SCHEMBL4523631

Clc1ccc(C2C=CC=CN2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
CYP2A6 P11509 1/20 0.33
HTR3A P46098 1/20 0.33
PRCP P42785 1/20 0.33
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A4 P31645 1/20 0.31
RAB9A P51151 1/20 0.31
KDM1A O60341 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12928288 0.75 CYP1A2 (0.34) RAB9A
SCHEMBL17664058 0.72 KMT2A (0.37) KMT2AALDH1A1
SCHEMBL14754408 0.69 KDM4E (0.42) SLC6A2SLC6A3SLC6A4KDM1A
SCHEMBL19049033 0.68 DRD2 (0.37)
SCHEMBL28909423 0.68 MECP2 (0.33) LMNACYP2A6HTR3A
SCHEMBL21202765 0.68 LPL (0.42)
SCHEMBL17179136 0.66 HTR2C (0.42) LMNASLC6A3MEN1KMT2ASLC6A4
SCHEMBL10231026 0.66 ALDH1A1 (0.46) LMNACYP2A6HTR3APRCPSLC6A2
SCHEMBL3966012 0.62 SLC6A2 (0.42) LMNACYP2A6HTR3APRCPSLC6A2
SCHEMBL27818765 0.62 LMNA (0.38) LMNACYP2A6HTR3APRCPSLC6A2

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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 LMNA 594/4885CYP2A6 2170/4885HTR3A 2626/4885

“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.