SCHEMBL1878461

SCHEMBL1878461

Nc1ccccc1CC(=O)c1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 11/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 8/20 0.46
CFTR P13569 1/20 0.46
RCE1 Q9Y256 1/20 0.43
TSHR P16473 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 2/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FDPS P14324 1/20 0.41

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
SCHEMBL28696476 0.85 ALDH1A1 (0.60) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL593745 0.80 MAPT (0.50) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL4175858 0.80 KDM4E (0.56) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL28659478 0.79 FDPS (0.46) MAPTGAAALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL28144703 0.78 MAPT (0.48) MAPTGAAALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL9151636 0.78 KDM4E (0.54) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL72851 0.77 AKR1B1 (0.61) MAPTGAAKDM4EHPGDTSHR
SCHEMBL5164226 0.77 FDPS (0.44) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL1039164 0.77 FDPS (0.48) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL10572853 0.77 MAPT (0.52) MAPTGAAALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-9822205-B2 Deoxybenzoin-derived anti-flammable polymers UNIVERSITY OF MASSACHUSETTS (US) 2017-11-21 US disclosed
US-9340635-B2 Deoxybenzoin-derived anti-flammable polymers UNIVERSITY OF MASSACHUSETTS (US) 2016-05-17 US disclosed
US-20160009854-A1 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS 2016-01-14 US disclosed
US-20160009841-A1 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS 2016-01-14 US disclosed
US-9175131-B2 Deoxybenzoin-derived anti-flammable polymers UNIVERSITY OF MASSACHUSETTS (US) 2015-11-03 US disclosed
US-20130102754-A1 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS (US) 2013-04-25 US disclosed
US-8314202-B2 Deoxybenzoin-derived anti-flammable polymers UNIVERSITY OF MASSACHUSETTS (US) 2012-11-20 US disclosed
US-20110112241-A1 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS 2011-05-12 US disclosed
WO-2009123969-A2 DEOXYBENZOIN-DERIVED ANTI-FLAMMABLE POLYMERS UNIVERSITY OF MASSACHUSETTS (US) 2009-10-08 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-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A MAPT 4568/4885GAA 141/4885ALDH1A1 417/4885

“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.