SCHEMBL4500591

SCHEMBL4500591

NC(=S)NCC1(F)CCN(Cc2cc(Cl)cc(Cl)c2O)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KCNH2 Q12809 6/20 0.40
IP6K1 Q92551 3/20 0.37
CYP1A2 P05177 1/20 0.35
PRMT1 Q99873 1/20 0.35
SCN5A Q14524 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
ABL1 P00519 1/20 0.34
SSTR5 P35346 3/20 0.33
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCR5 P51681 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL4490825 0.82 LMNA (0.46) ALDH1A1LMNAHTTKCNH2CYP1A2
SCHEMBL4485568 0.82 ALDH1A1 (0.56) ALDH1A1LMNAHTTIP6K1CYP1A2
SCHEMBL4500594 0.76 ALDH1A1 (0.46) ALDH1A1LMNAHTTKCNH2IP6K1
SCHEMBL4502303 0.73 ALDH1A1 (0.54) ALDH1A1LMNAHTTABL1MEN1
SCHEMBL3210905 0.71 ALDH1A1 (0.69) ALDH1A1LMNAHTTCYP1A2PRMT1
SCHEMBL7064678 0.70 ALDH1A1 (0.68) ALDH1A1LMNAHTTMEN1MAPT
SCHEMBL4496934 0.69 MEN1 (0.46) ALDH1A1LMNAHTTCYP1A2MEN1
SCHEMBL9734073 0.66 ALDH1A1 (0.61) ALDH1A1LMNAHTTCYP1A2PRMT1
SCHEMBL2926486 0.65 ALDH1A1 (0.68) ALDH1A1LMNAHTTABL1ACHE
SCHEMBL20798243 0.64 ALDH1A1 (0.43) ALDH1A1LMNAHTTABL1MEN1

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-7524841-B2 4,4-disubstituted piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-28 US disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
EP-1505067-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM TEIJIN LIMITED (JP) 2005-02-09 EP 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-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 ALDH1A1 486/4885LMNA 4010/4885HTT 3337/4885

“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.