SCHEMBL26313663

SCHEMBL26313663

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
LTB4R2 Q9NPC1 3/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 9/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 2/20 0.38
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
APAF1 O14727 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 3/20 0.36
ADRB2 P07550 1/20 0.36
KDM4E B2RXH2 5/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 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
SCHEMBL26313667 0.94 TSHR (0.47) TSHRLTB4R2RAB9ANPC1JAK2
SCHEMBL25413416 0.91 TSHR (0.41) TSHRLTB4R2RAB9AALDH1A1TP53
SCHEMBL25412807 0.89 TSHR (0.42) TSHRRAB9AALDH1A1TP53CYP3A4
SCHEMBL26313653 0.87 TSHR (0.52) TSHRLTB4R2RAB9AALDH1A1TP53
SCHEMBL26313674 0.85 TSHR (0.43) TSHRRAB9AALDH1A1TP53CYP3A4
SCHEMBL25411640 0.84 TSHR (0.44) TSHRRAB9AALDH1A1TP53CYP3A4
SCHEMBL25412717 0.84 TSHR (0.39) TSHRRAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL25412489 0.84 GPR88 (0.41) TSHRRAB9AALDH1A1CYP3A4HTT
SCHEMBL26313981 0.82 TSHR (0.39) TSHRRAB9AALDH1A1CYP3A4HTT
SCHEMBL25412747 0.81 TSHR (0.40) TSHRRAB9AALDH1A1TP53HTT

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 990/4885LTB4R2 760/4885RAB9A 3936/4885

“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.