SCHEMBL18197800

SCHEMBL18197800

N=C(NCc1ccc(C(F)(F)F)cc1)NC(=N)N1CCC(F)(F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TEAD1 P28347 1/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ LSS P48449 1/20 0.34
▸ P2RX7 Q99572 2/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 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
SCHEMBL18197810 0.87 MLYCD (0.41) HRH3TEAD1TRPV1
SCHEMBL14703466 0.83 KCNH2 (0.45) MTORHDAC3HDAC1HDAC2HDAC10
SCHEMBL14703438 0.83 KCNH2 (0.42) MTORHDAC3HDAC1HDAC2HDAC10
SCHEMBL18197806 0.82 EPHX2 (0.41) NAMPTTRPV1
SCHEMBL14703143 0.82 KDM4E (0.46) MTORHDAC3HDAC1HDAC2HDAC10
SCHEMBL18197821 0.81 HRH3 (0.43) HRH3ALDH1A1AKT2P2RX7TRPV1
SCHEMBL17356938 0.80 MTOR (0.39) MTORHDAC3HDAC1HDAC2HDAC10
SCHEMBL17777459 0.80 CHKA (0.44) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL21832068 0.80 CA1 (0.37) MTORHDAC3HDAC1HDAC2HDAC10
SCHEMBL18197822 0.78 SCN5A (0.43) KCNH2HRH3NAMPTAKT2TRPV1

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 MTOR 256/4885HDAC3 889/4885HDAC1 1134/4885
US-10590081-B2 Guanidine compounds and use thereof PC, TFAM, PCK2 MTOR 256/4885HDAC3 889/4885HDAC1 1134/4885

“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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