SCHEMBL18197821

SCHEMBL18197821

N=C(NCc1ccc(Cl)c(Cl)c1)NC(=N)N1CCC(F)(F)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.43
▸ TAOK1 Q7L7X3 2/20 0.39
▸ TAOK3 Q9H2K8 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ AKT2 P31751 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ P2RY12 Q9H244 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL28487664 0.93 HRH3 (0.45) HRH3TAOK1TAOK3TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL18191032 0.92 HRH3 (0.44) HRH3TAOK1TAOK3TSHRSMN1; SMN2
SCHEMBL14703141 0.82 EPHX2 (0.48) HRH3TAOK1TAOK3TSHRSMN1; SMN2
SCHEMBL14703147 0.81 EPHX2 (0.47) HRH3TAOK1TAOK3TSHRSMN1; SMN2
SCHEMBL18197800 0.81 MTOR (0.38) HRH3ALDH1A1AKT2CA1CA2
SCHEMBL28494767 0.80 HRH3 (0.44) HRH3TAOK1TAOK3TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL28489073 0.79 HRH3 (0.43) HRH3TAOK1TAOK3TSHRSMN1; SMN2
SCHEMBL18197810 0.79 MLYCD (0.41) HRH3TSHRMEN1KMT2ATRPV1
SCHEMBL20023235 0.79 SCN3A (0.37) LMNAEPHX2TRPV1
SCHEMBL23935877 0.78 METAP2 (0.42) LMNAPOLBMEN1KMT2AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288918-B1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC (US) 2021-10-20 — — EP 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 HRH3 4706/4885TAOK1 3254/4885TAOK3 3933/4885

“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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