SCHEMBL18197810

SCHEMBL18197810

N=C(NCc1cccc(C(F)(F)F)c1)NC(=N)N1CCC(F)(F)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.41
▸ PLA2G1B P04054 2/20 0.41
▸ ATG4B Q9Y4P1 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ ALKBH5 Q6P6C2 1/20 0.39
▸ FTO Q9C0B1 1/20 0.39
▸ TEAD1 P28347 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL18197800 0.87 MTOR (0.38) HRH3TRPV1TEAD1
SCHEMBL14703426 0.83 MEN1 (0.52) MLYCDPLA2G1BATG4BNPC1PKM
SCHEMBL17356937 0.82 MLYCD (0.45) MLYCDPLA2G1BATG4BNPC1PKM
SCHEMBL14703352 0.81 ALDH1A1 (0.45) MLYCDPLA2G1BATG4BNPC1PKM
SCHEMBL17777580 0.81 HRH4 (0.51) MLYCDPLA2G1BATG4BNPC1PKM
SCHEMBL21832066 0.81 CYP3A4 (0.39) MLYCDPLA2G1BATG4BNPC1PKM
SCHEMBL17356978 0.80 MLYCD (0.41) MLYCDPLA2G1BATG4BNPC1PKM
SCHEMBL17777597 0.80 TEAD1 (0.46) MLYCDPLA2G1BATG4BNPC1PKM
SCHEMBL18197821 0.79 HRH3 (0.43) KMT2AMEN1HRH3TRPV1TSHR
SCHEMBL23935877 0.78 METAP2 (0.42) PKMKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590081-B2 Guanidine compounds and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2020-03-17 — — US claimed
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 (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-20180093953-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 MLYCD 120/4885PLA2G1B 3679/4885ATG4B 3344/4885
US-10590081-B2 Guanidine compounds and use thereof PC, TFAM, PCK2 MLYCD 120/4885PLA2G1B 3679/4885ATG4B 3344/4885

“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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