SCHEMBL26313644

SCHEMBL26313644

CCCN(C(=O)c1cc(Cl)ccc1Br)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
TP53 P04637 3/20 0.48
CYP3A4 P08684 3/20 0.47
GPBAR1 Q8TDU6 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
F2R P25116 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
PDK1 Q15118 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 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
SCHEMBL25413679 0.87 CYP3A4 (0.59) TSHRTP53CYP3A4LTB4R2MEN1
SCHEMBL26313641 0.85 KMT2A (0.45) TSHRTP53CYP3A4GPBAR1F2R
SCHEMBL25410846 0.84 TSHR (0.46) TSHRTP53CYP3A4F2RMEN1
SCHEMBL25414172 0.82 TSHR (0.47) TSHRTP53CYP3A4MEN1KMT2A
SCHEMBL26313653 0.81 TSHR (0.52) TSHRTP53CYP3A4GPBAR1LTB4R2
SCHEMBL26313870 0.79 TSHR (0.45) TSHRTP53MEN1KMT2ANPC1
SCHEMBL1926647 0.77 ADRA2C (0.53) TSHRTP53GPBAR1ALDH1A1GLA
SCHEMBL1926836 0.77 ALDH1A1 (0.57) TSHRTP53MEN1KMT2APOLB
SCHEMBL530129 0.73 TP53 (0.53) TSHRTP53CYP3A4MEN1KMT2A
SCHEMBL25412746 0.72 CYP3A4 (0.50) TSHRTP53CYP3A4F2RMEN1

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 990/4885TP53 15/4885CYP3A4 73/4885

“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.