SCHEMBL20258596

SCHEMBL20258596

COc1ccc2[nH]c(C)c(CCNC(=N)NC(=N)N)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.67
MTNR1B P49286 4/20 0.67
MAPT P10636 9/20 0.61
MEN1 O00255 8/20 0.61
KMT2A Q03164 8/20 0.61
HTT P42858 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
HTR1D P28221 2/20 0.59
HTR6 P50406 2/20 0.59
LMNA P02545 3/20 0.59
GAA P10253 3/20 0.59
POLB P06746 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
ALOX12 P18054 2/20 0.57
ALDH1A1 P00352 3/20 0.56
HTR1A P08908 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR1E P28566 1/20 0.54
HTR7 P34969 1/20 0.54
HTR5A P47898 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
SCHEMBL20258595 0.84 MAPT (0.48) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL20258559 0.81 PABPC1 (0.58) MAPTMEN1KMT2AHTTTDP1
SCHEMBL8946916 0.80 MTNR1A (1.00) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL31543713 0.80 MTNR1A (1.00) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL4697189 0.79 MTNR1A (0.60) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL4100217 0.79 MTNR1A (0.71) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL18239837 0.78 MTNR1A (0.78) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL18222560 0.78 MTNR1A (0.78) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL3227065 0.77 MTNR1A (0.77) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL21562661 0.77 MAPT (0.44) MTNR1AMTNR1BMAPTMEN1KMT2A

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 MTNR1A 2658/4885MTNR1B 1872/4885MAPT 3095/4885
US-20190345103-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY SLC16A7, SLC16A1, HADHB MTNR1A 2658/4885MTNR1B 1872/4885MAPT 3095/4885
US-11834411-B2 Fused bicyclic alkylene linked imidodicarbonimidic diamides, methods for synthesis, and uses in therapy SLC16A7, SLC16A1, HADHB MTNR1A 2658/4885MTNR1B 1872/4885MAPT 3095/4885

“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.