SCHEMBL26313641

SCHEMBL26313641

CCCN(C(=O)c1cc(Cl)ccc1Br)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
GPBAR1 Q8TDU6 3/20 0.43
F2R P25116 1/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 2/20 0.40
ESR1 P03372 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCB1 P08183 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL25412746 0.88 CYP3A4 (0.50) KMT2AMEN1F2RCYP3A4TSHR
SCHEMBL26313644 0.85 TSHR (0.55) KMT2AMEN1GPBAR1F2RCYP3A4
SCHEMBL25412959 0.83 TMEM97 (0.40) KMT2AMEN1GPBAR1F2RCYP3A4
SCHEMBL25412440 0.82 MEN1 (0.39) KMT2AMEN1GPBAR1F2RCYP3A4
SCHEMBL26313650 0.82 GPBAR1 (0.43) KMT2AMEN1GPBAR1CYP3A4TSHR
SCHEMBL26313784 0.80 IDO1 (0.42) KMT2AMEN1GPBAR1TSHRTP53
SCHEMBL11538601 0.73 ESR1 (0.48) KMT2AMEN1GPBAR1TP53ESR1
SCHEMBL25413679 0.72 CYP3A4 (0.59) KMT2AMEN1CYP3A4TSHRTP53
SCHEMBL26313668 0.71 CRHR1 (0.40) TSHRESR1CYP1A2CYP2D6CYP2C19
SCHEMBL11784195 0.70 F2R (0.41) KMT2AMEN1F2RCYP3A4TSHR

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 KMT2A 3286/4885MEN1 2794/4885GPBAR1 1592/4885

“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.