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Sugi Predict / Compounds / SCHEMBL4876472

SCHEMBL4876472

SCHEMBL4876472

Cc1cc(Cl)nc(SCCN2CCN(c3cc(Cl)cc4c3OCC(=O)N4)CC2)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTR1A P08908 14/20 0.41
▸ HTR1D P28221 13/20 0.41
▸ HTR1B P28222 13/20 0.41
▸ SLC6A4 P31645 12/20 0.41
▸ KCNH2 Q12809 4/20 0.37
▸ TSHR P16473 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DRD2 P14416 3/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34

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
SCHEMBL4873983 0.94 HTR1A (0.43) MEN1KMT2ALMNAPSMD14ALDH1A1
SCHEMBL4879035 0.89 HTR1A (0.43) MEN1KMT2ALMNAPSMD14ALDH1A1
SCHEMBL4868514 0.88 HTR1A (0.41) MEN1KMT2ALMNAPSMD14ALDH1A1
SCHEMBL4876984 0.86 HTR1A (0.43) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4876785 0.85 ALDH1A1 (0.45) MEN1KMT2ALMNAPSMD14ALDH1A1
SCHEMBL4877180 0.82 HTR1A (0.38) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4864840 0.82 HTR1A (0.41) MEN1KMT2ALMNAALDH1A1HTR1A
SCHEMBL4872342 0.81 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4868483 0.79 ALDH1A1 (0.45) MEN1KMT2ALMNAPSMD14ALDH1A1
SCHEMBL4873209 0.74 KMT2A (0.39) MEN1KMT2ALMNAPSMD14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393845-B2 Heteroaryl derivates, their preparation and use H. LUNDBECK A/S (DK) 2008-07-01 — — US claimed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 — — US claimed
EP-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 — — EP claimed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 — — US claimed
US-7393845-B2 Heteroaryl derivates, their preparation and use H. LUNDBECK A/S (DK) 2008-07-01 — — US disclosed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 — — US disclosed
EP-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 — — EP disclosed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 — — 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 (2 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-20040248883-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR1A MEN1 2129/4885KMT2A 2062/4885LMNA 3553/4885
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C MEN1 2778/4885KMT2A 1897/4885LMNA 3342/4885

“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.