SCHEMBL4877249

SCHEMBL4877249

Cc1cc(C)c(C#N)c(SCCc2cc(Cl)cc3c2OCCN3)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
LMNA P02545 5/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2D6 P10635 1/20 0.48
PKM P14618 3/20 0.46
ALDH1A1 P00352 15/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 6/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 5/20 0.42
GAA P10253 2/20 0.42
RECQL P46063 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
SCHEMBL4868483 0.82 ALDH1A1 (0.45) MAPTLMNACYP1A2CYP2C19CYP3A4
SCHEMBL4873209 0.75 KMT2A (0.39) MAPTLMNACYP1A2CYP2C19CYP3A4
SCHEMBL4876785 0.75 ALDH1A1 (0.45) MAPTLMNACYP1A2CYP2C19CYP3A4
SCHEMBL4868294 0.69 THRB (0.39) MAPTLMNACYP1A2ALDH1A1KMT2A
SCHEMBL4873983 0.66 HTR1A (0.43) MAPTLMNACYP1A2CYP2C19CYP3A4
SCHEMBL10284046 0.64 MEN1 (0.67) MAPTLMNACYP1A2CYP2C19PKM
SCHEMBL4868226 0.64 HSD17B10 (0.37) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL4874799 0.63 TP53 (0.36) LMNAALDH1A1KMT2AMEN1NPSR1
SCHEMBL4872373 0.62 ALDH1A1 (0.43) MAPTLMNACYP1A2CYP2C19CYP3A4
SCHEMBL14385851 0.62 ALDH1A1 (0.73) MAPTLMNACYP1A2CYP2C19CYP3A4

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-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

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-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C MAPT 1172/4885LMNA 3342/4885CYP1A2 295/4885

“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.