SCHEMBL2716626

SCHEMBL2716626

O=C(Cl)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 8/20 0.81
ALDH1A1 P00352 4/20 0.71
KDM4E B2RXH2 4/20 0.71
MAPT P10636 3/20 0.67
HPGD P15428 2/20 0.67
POLB P06746 1/20 0.67
CYP1A2 P05177 1/20 0.67
XBP1 P17861 1/20 0.67
CYP2C19 P33261 1/20 0.67
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ATM Q13315 1/20 0.62
GAA P10253 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CSF1R P07333 2/20 0.58
ROCK2 O75116 1/20 0.58
MAP4K4 O95819 1/20 0.58
LCK P06239 1/20 0.58
PIM1 P11309 1/20 0.58
RPS6KB1 P23443 1/20 0.58

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
SCHEMBL42364 0.90 MAP2 (1.00) MAP2ALDH1A1KDM4EMAPTHPGD
SCHEMBL11403058 0.87 MAP2 (1.00) MAP2ALDH1A1KDM4EMAPTHPGD
SCHEMBL8686991 0.87 MAP2 (1.00) MAP2ALDH1A1KDM4EMAPTHPGD
SCHEMBL4854377 0.85 CSF1R (0.69) MAP2ALDH1A1KDM4EMAPTPOLB
SCHEMBL8938266 0.84 MAP2 (0.74) MAP2ALDH1A1KDM4EMAPTHPGD
SCHEMBL27444635 0.82 MAP2 (0.71) MAP2ALDH1A1KDM4EMAPTHPGD
SCHEMBL27464890 0.81 MAP2 (0.70) MAP2ALDH1A1KDM4EMAPTHPGD
SCHEMBL4395807 0.81 MAP2 (0.75) MAP2ALDH1A1KDM4EMAPTHPGD
SCHEMBL9034104 0.81 MAP2 (0.66) MAP2ALDH1A1KDM4EMAPTHPGD
SCHEMBL28800459 0.80 ALDH1A1 (1.00) MAP2ALDH1A1KDM4EMAPTHPGD

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-20130245064-A1 NOVEL NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-09-19 US disclosed
EP-2635554-A2 NOVEL NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP disclosed
WO-2012059443-A2 NOVEL NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO 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-20130245064-A1 NOVEL NEUROTRYPSIN INHIBITORS PRSS12, NLN, MTPN MAP2 468/4885ALDH1A1 4039/4885KDM4E 3628/4885

“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.