SCHEMBL7054003

SCHEMBL7054003

O=C(Cl)C(S)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.56
CYP1A2 P05177 1/20 0.52
CPA3 P15088 2/20 0.50
FOLH1 Q04609 1/20 0.50
CPA1 P15085 4/20 0.49
ACE P12821 4/20 0.49
ACE2 Q9BYF1 2/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
MDM2 Q00987 1/20 0.47
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4838500 0.83 MME (0.65) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL498453 0.83 MME (0.65) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL3411005 0.81 MME (0.58) MMECYP1A2CPA3FOLH1CPA1
Hydrochloric Acid SCHEMBL7054010 0.81 MME (0.62) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL25432477 0.79 EPHX1 (0.58) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL5609028 0.79 MME (0.56) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL8240623 0.79 EPHX1 (0.58) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL2456064 0.79 MME (0.56) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL8040411 0.78 CYP1A2 (0.68) MMECYP1A2CPA3FOLH1CPA1
SCHEMBL1586317 0.78 MDM2 (0.61) MMECYP1A2CPA3FOLH1CPA1

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-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 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-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections HRH2, ASPH, NQO2 MME 1201/4885CYP1A2 91/4885CPA3 2845/4885

“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.