SCHEMBL2491342

SCHEMBL2491342

Sc1nc2n(n1)CCCCC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PDPK1 O15530 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL2492091 0.77 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL10236244 0.75 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL2546676 0.74 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL18615155 0.72 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL2651142 0.72 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL2666680 0.72 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL31456615 0.72 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL12050030 0.68 ALDH1A1 (0.37) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL6900253 0.68 ALDH1A1 (0.37) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL3760731 0.68 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
US-20100305326-A1 Chemical Fragment Screening and Assembly Utilizing Common Chemistry for NMR Probe Introduction and Fragment Linkage MARQUETTE UNIVERSITY (US) 2010-12-02 US disclosed
US-20100305326-A1 Chemical Fragment Screening and Assembly Utilizing Common Chemistry for NMR Probe Introduction and Fragment Linkage MARQUETTE UNIVERSITY (US) 2010-12-02 US disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO 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-20100305326-A1 Chemical Fragment Screening and Assembly Utilizing Common Chemistry for NMR Probe Introduction and Fragment Linkage CYFIP2, RPS27A, FRS2 MEN1 3261/4885KMT2A 4275/4885ALDH1A1 3624/4885

“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.