SCHEMBL20258564

SCHEMBL20258564

N=C(N)NC(=N)NCCc1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 1/20 0.59
PKM P14618 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
BLM P54132 1/20 0.59
MMP9 P14780 1/20 0.56
AANAT Q16613 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
IDO1 P14902 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HTR1A P08908 1/20 0.55
HTR2A P28223 1/20 0.55
HTT P42858 1/20 0.55
SIRT1 Q96EB6 1/20 0.54
MC5R P33032 1/20 0.54

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
SCHEMBL20258567 0.92 IDO1 (0.57) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL2799585 0.89 MEN1 (0.65) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL21562558 0.86 KMT2A (0.53) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL20258565 0.83 SPR (0.62) MEN1KMT2ALMNACYP1A2TSHR
SCHEMBL21562515 0.83 HTR2A (0.57) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL20258534 0.82 MTNR1A (0.64) MEN1KMT2ACYP1A2BLMNPC1
SCHEMBL21562513 0.82 MTNR1A (0.50) MEN1KMT2ALMNATSHRMMP9
SCHEMBL20258635 0.82 MTNR1A (0.62) LMNATSHRMMP9HTR2ASMN1; SMN2
SCHEMBL20258597 0.82 NOTUM (0.70) KMT2AHTR1AHTR2A
SCHEMBL20258624 0.82 HTR6 (0.56) MEN1KMT2ALMNACYP1A2PKM

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
US-11834411-B2 Fused bicyclic alkylene linked imidodicarbonimidic diamides, methods for synthesis, and uses in therapy NOVATARG, INC. (US) 2023-12-05 US disclosed
US-20220213036-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY NOVATARG, INC. 2022-07-07 US disclosed
US-20190345103-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY NOVATARG, INC. 2019-11-14 US disclosed
WO-2018106907-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERARY NOVATARG, INC. (US) 2018-06-14 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 (3 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-20220213036-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY SLC16A7, SLC16A1, HADHB MEN1 3290/4885KMT2A 3151/4885LMNA 4393/4885
US-20190345103-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY SLC16A7, SLC16A1, HADHB MEN1 3290/4885KMT2A 3151/4885LMNA 4393/4885
US-11834411-B2 Fused bicyclic alkylene linked imidodicarbonimidic diamides, methods for synthesis, and uses in therapy SLC16A7, SLC16A1, HADHB MEN1 3290/4885KMT2A 3151/4885LMNA 4393/4885

“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.