SCHEMBL26313764

SCHEMBL26313764

N#Cc1ccc(Cl)cc1C(=O)N(CCN)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.55
TSHR P16473 1/20 0.46
NOS2 P35228 6/20 0.44
CYP2D6 P10635 4/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
ALDH1A1 P00352 3/20 0.44
ADRA2C P18825 1/20 0.43
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 1/20 0.39

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
Hydrochloric Acid SCHEMBL25411664 0.99 CYP3A4 (0.57) CYP3A4TSHRNOS2CYP2D6SLC6A2
SCHEMBL26313653 0.88 TSHR (0.52) CYP3A4TSHRNOS2CYP2D6SLC6A2
SCHEMBL25411335 0.86 CYP3A4 (0.47) CYP3A4NOS2CYP2D6SLC6A2SLC6A4
SCHEMBL25411663 0.85 TSHR (0.45) CYP3A4TSHRNOS2CYP2D6SLC6A2
SCHEMBL25411640 0.85 TSHR (0.44) CYP3A4TSHRNOS2ALDH1A1HTT
SCHEMBL25412807 0.83 TSHR (0.42) CYP3A4TSHRNOS2CYP2D6SLC6A2
SCHEMBL26313667 0.82 TSHR (0.47) CYP3A4TSHRNOS2CYP2D6SLC6A2
SCHEMBL25411012 0.81 TSHR (0.41) CYP3A4TSHRNOS2CYP2D6SLC6A2
SCHEMBL25413416 0.81 TSHR (0.41) CYP3A4TSHRNOS2CYP2D6SLC6A2
SCHEMBL25413679 0.81 CYP3A4 (0.59) CYP3A4TSHRALDH1A1ADRA2CRAB9A

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 2 patents. 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
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 CYP3A4 73/4885TSHR 990/4885NOS2 3/4885

“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.