SCHEMBL3634403

SCHEMBL3634403

Cc1ccccc1C(=O)N(C)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
HPGD P15428 1/20 0.46
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 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
SCHEMBL3280428 0.86 TP53 (0.50) KMT2ATSHRHPGDMEN1SMN1; SMN2
SCHEMBL30037151 0.84 KMT2A (0.59) KMT2ATSHRMAPK1HPGDERCC5
SCHEMBL354228 0.84 KMT2A (0.59) KMT2ATSHRMAPK1HPGDERCC5
SCHEMBL11216342 0.84 KMT2A (0.59) KMT2ATSHRMAPK1HPGDERCC5
Hydrochloric Acid SCHEMBL1776796 0.83 KMT2A (0.58) KMT2ATSHRMAPK1HPGDERCC5
SCHEMBL28873372 0.81 KMT2A (0.51) KMT2ATSHRMAPK1HPGDERCC5
SCHEMBL6832097 0.81 KMT2A (0.56) KMT2ATSHRMAPK1HPGDERCC5
Hydrochloric Acid SCHEMBL11560303 0.79 KMT2A (0.54) KMT2ATSHRMAPK1HPGDERCC5
SCHEMBL11879792 0.79 KMT2A (0.64) KMT2ATSHRMAPK1HPGDERCC5
SCHEMBL1436159 0.78 KDM4E (0.52) KMT2ATSHRMAPK1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3760619-A1 SATURATED RING-CONDENSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUND, AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2021-01-06 EP disclosed
US-7906540-B2 Antivirals for HIV and AIDS; compounds are 2-1,2,4-triazolin-5-ones, substituted with aryl(oxy)methyl or benzylamino at position 3; use in combination with antivirals; treating drug resistance infections ROCHE PALO ALTO LLC (US) 2011-03-15 US disclosed
EP-2142520-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
EP-2134711-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-12-23 EP disclosed
US-20080293664-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-11-27 US disclosed
WO-2008122534-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO disclosed
WO-2008119662-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 WO disclosed
US-20080249151-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-10-09 US disclosed
US-6632833-B1 Their preparation and to their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
EP-1306371-A1 Cyclic imines Bayer CropScience AG (DE) 2003-05-02 EP disclosed
EP-0942901-B1 CYCLIC IMINES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-03-05 EP disclosed
EP-0942901-A1 CYCLIC IMINES AS PESTICIDES BAYER AG (DE) 1999-09-22 EP disclosed
WO-1998022438-A1 CYCLIC IMINES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-28 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 (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-20080293664-A1 Non-nucleoside reverse transcriptase inhibitors XDH, REV1, RTF1 KMT2A 1859/4885TSHR 1684/4885MAPK1 1864/4885
US-20080249151-A1 Non-nucleoside reverse transcriptase inhibitors QTRT1, RTF1, REV1 KMT2A 1583/4885TSHR 1975/4885MAPK1 2076/4885

“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.