SCHEMBL7559043

SCHEMBL7559043

Cc1cccc(NCCCCCN)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.72
CYP1A2 P05177 2/20 0.72
CYP3A4 P08684 2/20 0.72
CYP2D6 P10635 2/20 0.72
CYP2C9 P11712 2/20 0.72
CYP2C19 P33261 2/20 0.72
HTT P42858 1/20 0.72
HDAC1 Q13547 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ICMT O60725 1/20 0.42
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
GFER P55789 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL11319149 0.98 MAPT (0.75) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10282556 0.93 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9366846 0.85 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11111034 0.85 MAPT (0.83) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8373327 0.85 MAPT (1.00) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15230385 0.84 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9116266 0.84 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5609022 0.84 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15229858 0.84 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5597408 0.84 MAPT (0.69) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US disclosed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 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-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 MAPT 3003/4885CYP1A2 4/4885CYP3A4 8/4885

“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.