SCHEMBL10274903

SCHEMBL10274903

CNCCCNc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
F2 P00734 2/20 0.41
CTSD P07339 1/20 0.41
FDPS P14324 1/20 0.38
ADRA2B P18089 1/20 0.38
KCNH2 Q12809 1/20 0.37
GRIN2B Q13224 1/20 0.37
PRSS1 P07477 2/20 0.37
PRKCI P41743 1/20 0.37
ACHE P22303 4/20 0.37

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
SCHEMBL2128482 0.81 KDM6B (0.47) MAPTALDH1A1F2CTSD
SCHEMBL2352696 0.79 NAAA (0.50) MAPTALDH1A1F2CTSDACHE
SCHEMBL6017273 0.78 ALDH1A1 (0.77) MAPTALDH1A1HRH3
SCHEMBL11470551 0.78 NAAA (0.53) MAPTALDH1A1ACHE
SCHEMBL11470387 0.78 NAAA (0.53) MAPTALDH1A1ACHE
SCHEMBL25383583 0.78 NAAA (0.53) MAPTALDH1A1ACHE
SCHEMBL11470674 0.78 NAAA (0.53) MAPTALDH1A1ACHE
SCHEMBL863456 0.78 NAAA (0.53) MAPTALDH1A1ACHE
SCHEMBL11487106 0.78 NAAA (0.53) MAPTALDH1A1ACHE
SCHEMBL11477556 0.78 NAAA (0.53) MAPTALDH1A1ACHE

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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
US-20070219191-A1 3-Pyridinium Methyl Cephem Compound SHIONOGI & CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219191-A1 3-Pyridinium Methyl Cephem Compound SHIONOGI & CO., LTD. (JP) 2007-09-20 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 (3 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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 MAPT 223/4885ALDH1A1 408/4885HRH3 190/4885
US-20070219191-A1 3-Pyridinium Methyl Cephem Compound ABL1, CRKL, MGMT MAPT 3767/4885ALDH1A1 3311/4885HRH3 34/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 MAPT 223/4885ALDH1A1 408/4885HRH3 190/4885

“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.