SCHEMBL23901894

SCHEMBL23901894

Cc1cc(COc2ccc(C(=N)NC(C)C)cc2C)cc(COc2ccc(C(=N)NC(C)C)cc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.44
FFAR1 O14842 2/20 0.44
MRGPRX4 Q96LA9 4/20 0.44
TAS1R3 Q7RTX0 5/20 0.40
TAS1R1 Q7RTX1 5/20 0.40
PARP10 Q53GL7 1/20 0.37
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HTR1A P08908 1/20 0.35

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
Hydrochloric Acid SCHEMBL23880737 0.99 FFAR4 (0.43) FFAR4FFAR1MRGPRX4TAS1R3TAS1R1
SCHEMBL23902221 0.88 RAB9A (0.47) MRGPRX4ALDH1A1HPGDHTTPRSS1
Hydrochloric Acid SCHEMBL23880744 0.86 RAB9A (0.46) MRGPRX4ALDH1A1HPGDHTTPRSS1
SCHEMBL23901802 0.85 FFAR4 (0.47) FFAR4FFAR1MRGPRX4TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL23235737 0.84 FFAR4 (0.46) FFAR4FFAR1MRGPRX4TAS1R3TAS1R1
SCHEMBL23902311 0.83 FFAR4 (0.45) FFAR4FFAR1MRGPRX4TAS1R3TAS1R1
SCHEMBL23566129 0.83 PARP10 (0.52) PARP10ALDH1A1PRSS1PRSS2PRSS3
SCHEMBL23902312 0.83 PARP10 (0.43) FFAR1MRGPRX4PARP10ALDH1A1PRSS1
Hydrochloric Acid SCHEMBL23235788 0.82 FFAR4 (0.44) FFAR4FFAR1MRGPRX4TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL29741543 0.82 PARP10 (0.51) PARP10ALDH1A1PRSS1PRSS2PRSS3

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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 FFAR4 2035/4885FFAR1 2920/4885MRGPRX4 546/4885

“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.