SCHEMBL3336044

SCHEMBL3336044

ClCCCCn1c(-c2ccccc2)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
PDE6D O43924 1/20 0.63
ALDH2 P05091 1/20 0.63
ALDH3A1 P30838 1/20 0.63
HPGD P15428 1/20 0.61
TP53 P04637 5/20 0.59
P2RX7 Q99572 1/20 0.58
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 3/20 0.56
DRD2 P14416 2/20 0.54
DRD3 P35462 2/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
GAA P10253 2/20 0.52
CXCR4 P61073 1/20 0.51
PIN1 Q13526 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50

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
SCHEMBL3336250 0.98 ALDH1A1 (0.61) ALDH1A1PDE6DALDH2ALDH3A1HPGD
SCHEMBL11201469 0.95 ALDH1A1 (0.65) ALDH1A1PDE6DALDH2ALDH3A1HPGD
SCHEMBL3331202 0.90 ALDH1A1 (0.64) ALDH1A1PDE6DALDH2ALDH3A1HPGD
SCHEMBL3336215 0.89 ALDH1A1 (0.63) ALDH1A1PDE6DALDH2ALDH3A1HPGD
SCHEMBL4938222 0.85 HPGD (0.61) ALDH1A1PDE6DALDH2ALDH3A1HPGD
SCHEMBL4946603 0.84 HPGD (0.59) ALDH1A1PDE6DALDH2ALDH3A1HPGD
SCHEMBL10323108 0.83 TLR7 (0.64) ALDH1A1PDE6DALDH2ALDH3A1HPGD
SCHEMBL9321137 0.83 TP53 (0.72) ALDH1A1PDE6DALDH2ALDH3A1HPGD
SCHEMBL11197015 0.81 LMNA (0.67) ALDH1A1PDE6DTP53P2RX7LMNA
SCHEMBL13668139 0.81 HPGD (0.57) ALDH1A1PDE6DALDH2ALDH3A1HPGD

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-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 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-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 ALDH1A1 448/4885PDE6D 116/4885ALDH2 704/4885

“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.