SCHEMBL27113808

SCHEMBL27113808

CC(C)(C)NCc1ccc(-c2ccc(CNC(=N)N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 4/20 0.38
NR1H4 Q96RI1 3/20 0.38
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHEK1 O14757 1/20 0.34
HPGD P15428 1/20 0.34
LTA4H P09960 1/20 0.34
HPN P05981 1/20 0.34
F2 P00734 1/20 0.33

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
SCHEMBL27113497 0.95 EPHX2 (0.41) HTTRAB9AEPHX2NR1H4CA2
SCHEMBL27113436 0.89 DHODH (0.44) HTTRAB9AALDH1A1LMNA
SCHEMBL27113441 0.86 HTT (0.38) HTTRAB9AEPHX2NR1H4CA2
SCHEMBL27113884 0.85 ALDH1A1 (0.42) EPHX2NR1H4CA2CA1CA7
SCHEMBL27113744 0.84 RORC (0.36) RAB9AEPHX2NR1H4CA2CA1
SCHEMBL15125586 0.83 EPHX2 (0.55) RAB9AEPHX2NR1H4CA2CA1
SCHEMBL27113498 0.82 ST14 (0.43) HTTRAB9ACA2CA1ALDH1A1
SCHEMBL27113746 0.81 F7 (0.42) EPHX2NR1H4CA2CA1CA7
SCHEMBL3672272 0.80 CYP2C9 (0.48) CA2CA1CYP2C9CYP2C19ALDH1A1
SCHEMBL17198935 0.79 ALDH1A1 (0.54) HTTRAB9AEPHX2NR1H4CA2

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-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 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-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 HTT 1812/4885RAB9A 638/4885EPHX2 1754/4885

“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.