SCHEMBL18197822

SCHEMBL18197822

N=C(NCc1ccc(OC(F)(F)F)cc1)NC(=N)N1CCC(F)(F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 3/20 0.43
▸ SCN9A Q15858 3/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.40
▸ EPHX2 P34913 2/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ HTR2C P28335 3/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ ATXN2 Q99700 1/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ PLA2G1B P04054 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38

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 SCHEMBL18190999 0.99 SCN5A (0.42) SCN5ASCN9AKCNH2HRH3EPHX2
SCHEMBL14703144 0.88 HRH3 (0.45) SCN9AHRH3EPHX2NR1H4HTR2C
SCHEMBL14703361 0.88 HRH3 (0.47) SCN9AHRH3EPHX2NR1H4HTR2C
SCHEMBL14703251 0.87 EPHX2 (0.47) HRH3EPHX2NR1H4HTR2CNAMPT
SCHEMBL14703473 0.85 ALDH1A1 (0.51) HRH3EPHX2NR1H4HTR2CNAMPT
SCHEMBL17356945 0.83 EPHX2 (0.43) HRH3EPHX2NR1H4HTR2CNAMPT
SCHEMBL20023235 0.83 SCN3A (0.37) SCN5ASCN9AKCNH2EPHX2TRPV1
SCHEMBL16692446 0.82 EPHX2 (0.47) EPHX2MAPT
SCHEMBL18191042 0.82 TGM2 (0.38) FPR3FPR2SMN1; SMN2
SCHEMBL17356975 0.81 HRH3 (0.39) SCN9AHRH3EPHX2NR1H4HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107635963-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-11-20 — — CN claimed
EP-3288918-B1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC (US) 2021-10-20 — — EP disclosed
CN-107635963-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-11-20 — — CN disclosed
US-20180093953-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. 2018-04-05 — — US disclosed
US-20180093953-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. 2018-04-05 — — US disclosed
WO-2016175357-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2016-11-03 — — 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-20180093953-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 SCN5A 2478/4885SCN9A 3111/4885KCNH2 2958/4885

“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.

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