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SCHEMBL4873209

SCHEMBL4873209

Cc1cc(Cl)c(C#N)c(SCCN2CCN(c3cc(Cl)cc4c3OCCN4)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.39
▸ MEN1 O00255 7/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ LMNA P02545 3/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 4/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ PKM P14618 2/20 0.35

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
SCHEMBL4868483 0.93 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1LMNAPSMD14
SCHEMBL4876785 0.89 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1LMNAPSMD14
SCHEMBL4868294 0.88 THRB (0.39) KMT2AMEN1ALDH1A1LMNAPSMD14
SCHEMBL4879035 0.85 HTR1A (0.43) KMT2AMEN1ALDH1A1LMNAPSMD14
SCHEMBL4868226 0.84 HSD17B10 (0.37) KMT2AMEN1ALDH1A1LMNAPSMD14
SCHEMBL4874799 0.83 TP53 (0.36) KMT2AMEN1ALDH1A1LMNAPSMD14
SCHEMBL4867628 0.81 DRD2 (0.35) KMT2AMEN1ALDH1A1LMNAPSMD14
SCHEMBL4873454 0.81 DRD2 (0.42) TSHRHSD17B10TP53ALOX15HTR1A
SCHEMBL4873983 0.79 HTR1A (0.43) KMT2AMEN1ALDH1A1LMNAPSMD14
SCHEMBL4877249 0.75 MAPT (0.48) KMT2AMEN1ALDH1A1LMNANPSR1

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 KMT2A 2062/4885MEN1 2129/4885ALDH1A1 584/4885
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C KMT2A 1897/4885MEN1 2778/4885ALDH1A1 1001/4885

“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.