SCHEMBL16118643

SCHEMBL16118643

O=C(NC1CCCCC1)N(Cc1ccc(F)cc1)CC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 4/20 0.47
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTR2A P28223 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
POLB P06746 1/20 0.43
EPHX1 P07099 1/20 0.42
MLNR O43193 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL16118651 0.89 TSHR (0.42) LMNATSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16099597 0.88 ALDH1A1 (0.58) LMNATSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16118647 0.88 GAA (0.43) LMNATSHRMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL29391379 0.87 ALDH1A1 (0.57) LMNATSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16118646 0.87 PKM (0.50) LMNATSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16118645 0.86 MLNR (0.42) LMNATSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16118649 0.85 NPC1 (0.44) LMNATSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16118644 0.83 MLNR (0.42) LMNATSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16118659 0.83 KMT2A (0.51) LMNATSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16118654 0.83 KMT2A (0.51) LMNATSHRMEN1KMT2ASMN1; SMN2

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 LMNA 1092/4885TSHR 3384/4885MEN1 4373/4885

“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.