SCHEMBL12263170

SCHEMBL12263170

Cc1cccc(N2CCN(C(=O)c3ncn(-c4cc(Cl)c(C)c(Cl)c4)n3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
CCR1 P32246 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 2/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL12263138 0.93 CA12 (0.44) MAPTLMNAPOLBCCR1ALDH1A1
SCHEMBL2398149 0.78 CNR1 (0.55) MAPTLMNAPOLBALDH1A1TSHR
SCHEMBL15034020 0.72 HPGD (0.44) MAPTLMNAPOLBSMN1; SMN2TP53
SCHEMBL15020823 0.72 SMN1; SMN2 (0.44) MAPTLMNAPOLBHTTSMN1; SMN2
SCHEMBL15020102 0.72 SMN1; SMN2 (0.44) MAPTLMNAPOLBHTTSMN1; SMN2
SCHEMBL15019469 0.72 SMN1; SMN2 (0.44) MAPTLMNAPOLBHTTSMN1; SMN2
SCHEMBL15020092 0.70 MEN1 (0.55) MAPTPOLBALDH1A1SMN1; SMN2TP53
SCHEMBL15034215 0.69 HPGD (0.43) LMNAALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL19710644 0.69 ALDH1A1 (0.72) MAPTLMNAPOLBALDH1A1TSHR
SCHEMBL8230032 0.69 ALDH1A1 (0.61) MAPTLMNAALDH1A1SMN1; SMN2CA12

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-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 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-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 MAPT 4644/4885LMNA 4295/4885POLB 3106/4885

“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.