SCHEMBL24904322

SCHEMBL24904322

CCc1cccc(C(=O)NCCNC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
SMYD3 Q9H7B4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HDAC3 O15379 2/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KAT6A Q92794 1/20 0.50
ROCK2 O75116 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL16248158 0.87 L3MBTL1 (0.69) SMN1; SMN2SMYD3L3MBTL1HDAC3NPC1
SCHEMBL12228078 0.86 SMN1; SMN2 (0.57) SMN1; SMN2SMYD3L3MBTL1HDAC3MRGPRX4
SCHEMBL9490800 0.86 HDAC3 (0.66) SMN1; SMN2SMYD3L3MBTL1HDAC3NPC1
SCHEMBL24527070 0.84 HDAC3 (0.58) SMN1; SMN2SMYD3L3MBTL1HDAC3MRGPRX4
SCHEMBL17303553 0.84 SMN1; SMN2 (0.51) SMN1; SMN2SMYD3L3MBTL1HDAC3NPC1
SCHEMBL12334128 0.84 PARP1 (0.55) SMN1; SMN2SMYD3L3MBTL1HDAC3NPC1
SCHEMBL9691071 0.83 KAT6A (0.55) SMN1; SMN2SMYD3L3MBTL1HDAC3MRGPRX4
SCHEMBL2056391 0.83 HPGD (0.57) SMN1; SMN2SMYD3L3MBTL1HDAC3MRGPRX4
SCHEMBL3195633 0.83 LMNA (0.55) SMN1; SMN2SMYD3L3MBTL1HDAC3NPC1
SCHEMBL15676745 0.83 RAB9A (0.74) SMN1; SMN2HDAC3NPC1RAB9AHDAC4

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-20230018460-A1 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Infex Therapeutics Limited (GB) 2023-01-19 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-20230018460-A1 1-AMINOSULFONYL-2-CARBOXYPYRROLE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS CPN1, CMBL, ALDH7A1 SMN1; SMN2 2657/4885SMYD3 807/4885L3MBTL1 1631/4885

“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.