SCHEMBL26313667

SCHEMBL26313667

CCCNCCN(C(=O)c1cc(Cl)ccc1C#N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 6/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 2/20 0.39
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
APAF1 O14727 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
PAX8 Q06710 1/20 0.36
HPGD P15428 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL26313663 0.94 TSHR (0.45) TSHRALDH1A1TP53CYP3A4HTT
SCHEMBL25412807 0.90 TSHR (0.42) TSHRALDH1A1TP53CYP3A4HTT
SCHEMBL26313653 0.89 TSHR (0.52) TSHRALDH1A1TP53CYP3A4HTT
SCHEMBL25413416 0.88 TSHR (0.41) TSHRALDH1A1TP53CYP3A4HTT
SCHEMBL26313674 0.87 TSHR (0.43) TSHRALDH1A1TP53CYP3A4HTT
SCHEMBL25411640 0.86 TSHR (0.44) TSHRALDH1A1TP53CYP3A4HTT
SCHEMBL25412489 0.85 GPR88 (0.41) TSHRALDH1A1CYP3A4HTTRAB9A
SCHEMBL26313981 0.84 TSHR (0.39) TSHRALDH1A1CYP3A4HTTRAB9A
SCHEMBL25412747 0.83 TSHR (0.40) TSHRALDH1A1TP53HTTMAPT
SCHEMBL26313672 0.83 TSHR (0.43) TSHRALDH1A1TP53CYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 US 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-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF NOS1, NOS3, NOS2 TSHR 990/4885ALDH1A1 2994/4885TP53 15/4885

“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.