SCHEMBL12995681

SCHEMBL12995681

CCOc1ccc2c(Br)c(-c3ccc(NC(=O)NC(C)C)cc3)n(CC3CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CNR2 P34972 2/20 0.40
MAPT P10636 5/20 0.40
THRB P10828 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 1/20 0.38
ICMT O60725 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
SCHEMBL10097620 0.90 ALDH1A1 (0.43) ALDH1A1TP53MEN1KMT2ARAB9A
SCHEMBL12995600 0.90 ALDH1A1 (0.42) ALDH1A1TP53MEN1KMT2ARAB9A
SCHEMBL12995603 0.90 ALDH1A1 (0.42) ALDH1A1TP53MEN1KMT2ARAB9A
SCHEMBL2886247 0.89 TP53 (0.42) TP53MEN1KMT2ARAB9ANPC1
SCHEMBL12105813 0.88 KMT2A (0.41) ALDH1A1TP53MEN1KMT2ARAB9A
SCHEMBL13152378 0.88 MEN1 (0.43) ALDH1A1TP53MEN1KMT2ARAB9A
SCHEMBL10096404 0.87 NSD2 (0.42) ALDH1A1TP53MEN1KMT2ARAB9A
SCHEMBL12995683 0.87 TP53 (0.41) TP53MEN1KMT2ARAB9ACNR2
SCHEMBL10096453 0.85 MEN1 (0.40) ALDH1A1TP53MEN1KMT2ARAB9A
SCHEMBL14467111 0.84 ALDH1A1 (0.42) ALDH1A1TP53MEN1KMT2ARAB9A

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885TP53 1262/4885MEN1 4800/4885

“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.