SCHEMBL9655124

SCHEMBL9655124

Clc1ccccc1N1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.63
KEAP1 Q14145 1/20 0.59
ALDH1A1 P00352 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 2/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
CASP1 P29466 1/20 0.59
HSD17B10 Q99714 1/20 0.59
KDM4E B2RXH2 4/20 0.58
MAPK1 P28482 1/20 0.57
GAA P10253 1/20 0.53
PLA2G1B P04054 1/20 0.53
RAB9A P51151 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
NSD2 O96028 1/20 0.51
NPC1 O15118 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA1B P35368 1/20 0.50

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
SCHEMBL10893618 1.00 ADRB1 (0.63) ADRB1KEAP1ALDH1A1L3MBTL1POLB
Hydrochloric Acid SCHEMBL3944269 0.98 ADRB1 (0.61) ADRB1KEAP1ALDH1A1L3MBTL1POLB
SCHEMBL1825806 0.98 ADRB1 (0.65) ADRB1KEAP1ALDH1A1L3MBTL1POLB
SCHEMBL30407939 0.93 ADRB1 (0.65) ADRB1KEAP1ALDH1A1L3MBTL1POLB
SCHEMBL28396664 0.87 ADRB1 (0.71) ADRB1ALDH1A1KDM4EPLA2G1BRAB9A
Acetamide SCHEMBL27716290 0.85 NPC1 (0.60) ADRB1KEAP1ALDH1A1L3MBTL1POLB
SCHEMBL27934132 0.85 MAPK1 (0.74) KEAP1ALDH1A1L3MBTL1POLBMAPT
SCHEMBL2131518 0.85 DRD2 (0.67) ADRB1ALDH1A1L3MBTL1POLBTSHR
SCHEMBL30751119 0.85 DRD2 (0.67) ADRB1ALDH1A1L3MBTL1POLBTSHR
Fumaric Acid SCHEMBL27621730 0.84 ALDH1A1 (0.50) ADRB1ALDH1A1L3MBTL1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017516-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-10 US disclosed
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 US disclosed
US-9682983-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-06-20 US disclosed
US-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2016-02-18 US disclosed
CN-1256333-A Resin composition for coating paper and coating composition for paper and coated paper thereof SUMITOMO CHEMICAL CO (JP) 2000-06-14 CN disclosed
EP-0518939-A1 ANTIARRHYTHMIC AGENTS BTG INTERNATIONAL LIMITED (GB) 1992-12-23 EP disclosed
WO-1991013865-A1 ANTIARRHYTHMIC AGENTS ISIS INNOVATION LIMITED (GB) 1991-09-19 WO disclosed
US-4577025-A Method of preparing α-aromatic propionic acids and intermediates thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1986-03-18 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 (3 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-20160046633-A1 BMP INHIBITORS AND METHODS OF USE THEREOF BMP1, BMPR2, BMP2 ADRB1 1876/4885KEAP1 2534/4885ALDH1A1 4531/4885
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 ADRB1 1876/4885KEAP1 2534/4885ALDH1A1 4531/4885
US-10017516-B2 BMP inhibitors and methods of use thereof BMP1, BMPR2, BMP2 ADRB1 1876/4885KEAP1 2534/4885ALDH1A1 4531/4885

“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.