SCHEMBL3510455

SCHEMBL3510455

O=C(NCc1ccccc1)Nc1nccs1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.79
AURKA O14965 1/20 0.64
PIM1 P11309 1/20 0.64
CDK2 P24941 1/20 0.64
GSK3B P49841 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MAPT P10636 1/20 0.62
POLB P06746 1/20 0.59
LMNA P02545 2/20 0.58
USP2 O75604 1/20 0.58
TSHR P16473 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ROCK2 O75116 1/20 0.57
ROCK1 Q13464 1/20 0.57
SCN3A Q9NY46 1/20 0.56
TP53 P04637 1/20 0.55
THRB P10828 1/20 0.55
HPGD P15428 1/20 0.55

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
Hydrochloric Acid SCHEMBL18605769 0.99 KDM4E (0.77) KDM4EAURKAPIM1CDK2GSK3B
SCHEMBL7058892 0.86 SMN1; SMN2 (0.80) KDM4EAURKAPIM1CDK2GSK3B
SCHEMBL17186325 0.86 KDM4E (0.60) KDM4ESMN1; SMN2L3MBTL1MAPTPOLB
SCHEMBL17199017 0.86 KDM4E (0.80) KDM4ESMN1; SMN2MAPTPOLBNPC1
Hydrochloric Acid SCHEMBL17186300 0.85 SMN1; SMN2 (0.78) KDM4EAURKAPIM1CDK2GSK3B
Hydrochloric Acid SCHEMBL17186457 0.85 KDM4E (0.59) KDM4ESMN1; SMN2L3MBTL1MAPTPOLB
SCHEMBL3656623 0.84 ROCK2 (0.62) KDM4ESMN1; SMN2MAPTLMNANPC1
SCHEMBL7846212 0.82 KDM4E (0.60) KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL5455503 0.82 KDM4E (0.70) KDM4ESMN1; SMN2L3MBTL1MAPTPOLB
SCHEMBL1358311 0.80 KDM4E (0.67) KDM4EAURKAPIM1CDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US claimed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP claimed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO 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
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
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP 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-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
US-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 US disclosed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 US disclosed
WO-2009015193-A1 ANTIBACTERIAL SULFONE AND SULFOXIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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 (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-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds TST, UMPS, UROD KDM4E 1178/4885AURKA 3208/4885PIM1 784/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 KDM4E 659/4885AURKA 1224/4885PIM1 470/4885

“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.