SCHEMBL16118656

SCHEMBL16118656

CC(NC(=O)N(C/C=C/c1ccc(F)cc1)CC1CCNCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35

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
SCHEMBL16118654 0.85 KMT2A (0.51) KMT2ALMNAALDH1A1MAPTHDAC3
SCHEMBL16118659 0.85 KMT2A (0.51) KMT2ALMNAALDH1A1MAPTHDAC3
SCHEMBL16118661 0.79 POLB (0.44) KMT2ALMNAALDH1A1
SCHEMBL16118643 0.68 LMNA (0.53) KMT2ALMNAALDH1A1HDAC1HDAC6
SCHEMBL4321271 0.65 CHRM1 (0.42) KMT2ASLC6A4
SCHEMBL4321273 0.65 CHRM1 (0.42) KMT2ASLC6A4
SCHEMBL13102668 0.65 MAPK1 (0.43) ALDH1A1HDAC1MAPK1CTSLOPRL1
SCHEMBL7901967 0.65 MAPK1 (0.43) ALDH1A1HDAC1MAPK1CTSLOPRL1
SCHEMBL16118645 0.64 MLNR (0.42) KMT2ALMNAALDH1A1HPGDHDAC1
SCHEMBL16118649 0.63 NPC1 (0.44) KMT2ALMNAHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796674-B2 Benzyl urea derivatives for activating TGF-beta signaling THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2017-10-24 — — US disclosed
US-9796674-B2 Benzyl urea derivatives for activating TGF-beta signaling THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2017-10-24 — — US disclosed
US-20160039756-A1 BENZYL UREA DERIVATIVES FOR ACTIVATING TGF-BETA SIGNALING The Board of Trustees of the Leladn Stanford Junior University (US) 2016-02-11 — — US disclosed
US-20160039756-A1 BENZYL UREA DERIVATIVES FOR ACTIVATING TGF-BETA SIGNALING The Board of Trustees of the Leladn Stanford Junior University (US) 2016-02-11 — — US disclosed
WO-2014152869-A2 BENZYL UREA DERIVATIVES FOR ACTIVATING TGF-BETA SIGNALING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-09-25 — — 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-20160039756-A1 BENZYL UREA DERIVATIVES FOR ACTIVATING TGF-BETA SIGNALING TGFBR1, TGFB1, TGFBR2 KMT2A 2008/4885LMNA 1092/4885ALDH1A1 3206/4885

“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.

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