SCHEMBL4019637

SCHEMBL4019637

N=C(N)NCc1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.55
MC5R P33032 5/20 0.53
MC4R P32245 4/20 0.53
MAPK1 P28482 1/20 0.53
MC3R P41968 2/20 0.50
MC1R Q01726 1/20 0.50
TPSAB1 Q15661 1/20 0.48
PLAU P00749 2/20 0.47
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
PRSS1 P07477 1/20 0.47
FAAH O00519 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL30496740 1.00 IDO1 (0.55) IDO1MC5RMC4RMAPK1MC3R
Hydrochloric Acid SCHEMBL28129376 0.98 IDO1 (0.54) IDO1MC5RMC4RMAPK1MC3R
SCHEMBL17198943 0.87 IDO1 (0.50) IDO1MC5RMC4RMAPK1MC3R
SCHEMBL21171905 0.85 MC5R (0.62) IDO1MC5RMC4RMAPK1MC3R
SCHEMBL21171999 0.85 MC5R (0.47) IDO1MC5RMC4RMAPK1MC3R
SCHEMBL23116500 0.84 IDO1 (0.40) IDO1MC5RMC4RMAPK1MC3R
SCHEMBL30361729 0.84 IDO1 (0.40) IDO1MC5RMC4RMAPK1MC3R
SCHEMBL6564062 0.82 IDO1 (0.55) IDO1MC5RMC4RMAPK1MC3R
SCHEMBL6562324 0.82 IDO1 (0.64) IDO1MC5RMC4RMAPK1MC3R
Bromide SCHEMBL28186822 0.81 IDO1 (0.54) IDO1MC5RMC4RMAPK1MC3R

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
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
WO-2009087395-A1 WEIGHT REDUCING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2009-07-16 WO disclosed
WO-2009087395-A1 WEIGHT REDUCING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2009-07-16 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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 IDO1 2222/4885MC5R 2805/4885MC4R 1276/4885

“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.