SCHEMBL21755166

SCHEMBL21755166

NC(=O)c1ccccccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 1.00
TSHR P16473 2/20 1.00
POLB P06746 1/20 1.00
CYP3A4 P08684 1/20 1.00
MAPT P10636 1/20 1.00
CYP2C19 P33261 1/20 1.00
RECQL P46063 1/20 1.00
BLM P54132 1/20 1.00
PMP22 Q01453 1/20 1.00
HSD17B10 Q99714 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
PARP10 Q53GL7 4/20 0.62
PLA2G10 O15496 1/20 0.62
PLA2G2A P14555 1/20 0.62
CES2 O00748 2/20 0.58
CES1 P23141 2/20 0.58
ALDH1A1 P00352 2/20 0.58
DAO P14920 1/20 0.58
NAPRT Q6XQN6 1/20 0.58

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
Benzamide SCHEMBL30112947 1.00 PARP1 (1.00) PARP1TSHRPOLBCYP3A4MAPT
Benzamide SCHEMBL11668921 1.00 PARP1 (1.00) PARP1TSHRPOLBCYP3A4MAPT
Benzamide SCHEMBL6690447 1.00 PARP1 (1.00) PARP1TSHRPOLBCYP3A4MAPT
Benzamide SCHEMBL1222101 1.00 PARP1 (1.00) PARP1TSHRPOLBCYP3A4MAPT
Benzamide SCHEMBL16352 1.00
Benzamide SCHEMBL27963599 1.00 PARP1 (1.00) PARP1TSHRPOLBCYP3A4MAPT
Benzamide SCHEMBL29618402 1.00
Benzamide SCHEMBL1332331 1.00
Benzamide SCHEMBL8961640 0.97 PARP1 (0.94) PARP1TSHRPOLBCYP3A4MAPT
Benzamide SCHEMBL3864950 0.97

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-20230055040-A1 Synthesis Of Benzodiazepine Derivatives TRIO MEDICINES LIMITED (GB) 2023-02-23 US disclosed
US-10570102-B2 Synthesis of benzodiazepine derivatives TRIO MEDICINES LIMITED (GB) 2020-02-25 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 (2 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-10570102-B2 Synthesis of benzodiazepine derivatives GABRE, GABRA1, GABRA5 PARP1 2657/4885TSHR 1097/4885POLB 2652/4885
US-20230055040-A1 Synthesis Of Benzodiazepine Derivatives GABRE, GABRA1, GABRA5 PARP1 2657/4885TSHR 1097/4885POLB 2652/4885

“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.