SCHEMBL11902243

SCHEMBL11902243

COc1nc(C(=O)NCC2(c3ccccc3)CCCC2)cnc1-n1cnc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
SPR P35270 1/20 0.45
LMNA P02545 4/20 0.44
P2RX7 Q99572 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40
IL1B P01584 1/20 0.40

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
SCHEMBL11901871 0.91 P2RX7 (0.42) MEN1KMT2AALDH1A1SPRP2RX7
SCHEMBL6920278 0.91 ALDH1A1 (0.40) MEN1KMT2AALDH1A1L3MBTL1SPR
SCHEMBL11902403 0.90 P2RX7 (0.38) MEN1KMT2AALDH1A1SPRP2RX7
SCHEMBL11902884 0.88 P2RX7 (0.40) MEN1KMT2AALDH1A1P2RX7MAPK1
SCHEMBL11901925 0.88 P2RX7 (0.41) P2RX7
SCHEMBL6919571 0.87 MEN1 (0.48) MEN1KMT2AALDH1A1L3MBTL1SPR
SCHEMBL6919574 0.78 ALDH1A1 (0.40) MEN1KMT2AALDH1A1L3MBTL1P2RX7
SCHEMBL6920547 0.77 CNR1 (0.48) ALDH1A1SMN1; SMN2POLB
SCHEMBL6920222 0.77 PSEN1 (0.42) MEN1KMT2AALDH1A1P2RX7
SCHEMBL759572 0.76 PSEN1 (0.64) MEN1KMT2AALDH1A1L3MBTL1LMNA

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-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 US disclosed
US-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators PFIZER INC. 2012-08-09 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 (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-20120202787-A1 Novel Heteroaryl Imidazoles And Heteroaryl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, GSAP MEN1 2998/4885KMT2A 3212/4885ALDH1A1 2369/4885

“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.