SCHEMBL4606056

SCHEMBL4606056

O=C(NCCc1ccccc1)Nc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.81
KDM4E B2RXH2 1/20 0.81
CNR1 P21554 4/20 0.79
NPC1 O15118 3/20 0.79
RAB9A P51151 3/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
HDAC1 Q13547 2/20 0.72
HDAC2 Q92769 2/20 0.72
KMT2A Q03164 2/20 0.72
FPR2 P25090 1/20 0.72
MEN1 O00255 1/20 0.72
MAPT P10636 1/20 0.72
CA2 P00918 4/20 0.70
CA12 O43570 3/20 0.70
CA1 P00915 3/20 0.70
CA9 Q16790 3/20 0.70
ROCK2 O75116 1/20 0.70
ROCK1 Q13464 1/20 0.70
ALDH1A1 P00352 1/20 0.65
CYP1A2 P05177 1/20 0.65

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
SCHEMBL19472678 0.90 FPR2 (0.69) EPHX1KDM4ECNR1NPC1RAB9A
SCHEMBL12196188 0.89 EPHX1 (1.00) EPHX1KDM4ECNR1NPC1RAB9A
SCHEMBL4898196 0.89 KMT2A (0.81) EPHX1KDM4ECNR1NPC1RAB9A
SCHEMBL4894746 0.89 CNR1 (1.00) EPHX1KDM4ECNR1NPC1RAB9A
SCHEMBL11615935 0.89 ROCK2 (0.79) EPHX1KDM4ECNR1NPC1RAB9A
SCHEMBL10192078 0.89 ALDH1A1 (0.83) EPHX1KDM4ECNR1NPC1RAB9A
SCHEMBL5516178 0.89 CNR1 (0.73) EPHX1KDM4ECNR1NPC1RAB9A
SCHEMBL4897395 0.89 CNR1 (0.74) EPHX1KDM4ECNR1NPC1RAB9A
SCHEMBL27475656 0.89 CNR1 (0.68) EPHX1KDM4ECNR1NPC1RAB9A
SCHEMBL16857481 0.89 CNR1 (0.73) EPHX1KDM4ECNR1NPC1RAB9A

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-20080227999-A1 Heterogeneous Supported Catalytic Carbamate Process MOLZAHN DAVID C 2008-09-18 US claimed
EP-4465988-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS Calcimedica, Inc. (US) 2024-11-27 EP disclosed
WO-2023141523-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS CALCIMEDICA, INC. (US) 2023-07-27 WO disclosed
US-20160124123-A1 CELLULOSE ACYLATE FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY USING THE SAME FUJIFILM CORPORATION (JP) 2016-05-05 US disclosed
US-20130267712-A1 AROMATIC KETONE SYNTHESIS WITH AMIDE REAGENTS AND RELATED REACTIONS BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2013-10-10 US disclosed
US-20130267712-A1 AROMATIC KETONE SYNTHESIS WITH AMIDE REAGENTS AND RELATED REACTIONS BOARD OF TRUSTEES OF NORTHERN ILLINOIS UNIVERSITY (US) 2013-10-10 US disclosed
US-20080227999-A1 Heterogeneous Supported Catalytic Carbamate Process MOLZAHN DAVID C 2008-09-18 US disclosed
EP-1943214-A2 HETEROGENEOUS SUPPORTED CATALYTIC CARBAMATE PROCESS Dow Gloval Technologies Inc. (US) 2008-07-16 EP disclosed
WO-2007015852-A2 HETEROGENEOUS SUPPORTED CATALYTIC CARBAMATE PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2007-02-08 WO disclosed
US-4567287-A Preparation of carbamates from organic carbonates and aromatic ureas THE UPJOHN CO. (US) 1986-01-28 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 (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-20080227999-A1 Heterogeneous Supported Catalytic Carbamate Process CPS1, CAT, CA7 EPHX1 4546/4885KDM4E 126/4885CNR1 1757/4885
US-20130267712-A1 AROMATIC KETONE SYNTHESIS WITH AMIDE REAGENTS AND RELATED REACTIONS NAAA, AADAC, NISCH EPHX1 2340/4885KDM4E 835/4885CNR1 483/4885

“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.