SCHEMBL20045202

SCHEMBL20045202

CCCC[N+]1=C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)CCC2)C(C)(C)c2cc(C)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
PRMT1 Q99873 3/20 0.46
PRMT5 O14744 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
FOLR1 P15328 6/20 0.44
FOLH1 Q04609 4/20 0.44
HTR1A P08908 1/20 0.43
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
ADRB1 P08588 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CNR1 P21554 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL17694083 0.97 PTPN1 (0.54) PTPN1PRMT1PRMT5CARM1PRMT8
SCHEMBL14703652 0.94 PTPN1 (0.52) PTPN1PRMT1PRMT5CARM1PRMT8
SCHEMBL18263260 0.94 PTPN1 (0.57) PTPN1PRMT1PRMT5CARM1PRMT8
SCHEMBL18263258 0.94 PTPN1 (0.57) PTPN1PRMT1PRMT5CARM1PRMT8
SCHEMBL15095695 0.94 PTPN1 (0.57) PTPN1PRMT1PRMT5CARM1PRMT8
Water SCHEMBL17099468 0.93 PTPN1 (0.57) PTPN1PRMT1PRMT5CARM1PRMT8
Water SCHEMBL30750796 0.93 PTPN1 (0.57) PTPN1PRMT1PRMT5CARM1PRMT8
Water SCHEMBL17099467 0.93 PTPN1 (0.57) PTPN1PRMT1PRMT5CARM1PRMT8
SCHEMBL16609775 0.92 PTPN1 (0.53) PTPN1PRMT1PRMT5CARM1PRMT8
SCHEMBL20304881 0.91 PTPN1 (0.52) PTPN1PRMT1PRMT5CARM1PRMT8

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-20180099934-A1 PSMA-TARGETED NIR DYES AND THEIR USES On Target Laboratories, Inc. 2018-04-12 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-20180099934-A1 PSMA-TARGETED NIR DYES AND THEIR USES FOLH1, KLK3, PSMA6 PTPN1 4675/4885PRMT1 897/4885PRMT5 565/4885

“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.