SCHEMBL20577690

SCHEMBL20577690

O=C(O)c1cn(CCCSC(c2ccccc2)c2ccccc2)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 4/20 0.45
POLB P06746 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
TOP1 P11387 4/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.40
CYP2J2 P51589 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
SCHEMBL20656546 0.92 TOP1 (0.43) ALDH1A1LMNAHPGDPOLBTAAR1
SCHEMBL20577731 0.88 KMT2A (0.56) ALDH1A1LMNAHPGDPOLBCNR1
SCHEMBL20577649 0.86 ALDH1A1 (0.54) ALDH1A1LMNAHPGDTOP1DRD3
SCHEMBL20577556 0.86 KDM4E (0.63) ALDH1A1LMNAHPGDTOP1DRD3
SCHEMBL15282153 0.85 ALDH1A1 (0.48) ALDH1A1LMNAHPGDPOLBTAAR1
SCHEMBL20577692 0.81 KMT2A (0.48) ALDH1A1LMNAHPGDPOLBCNR1
SCHEMBL499644 0.77 ALDH1A1 (0.68) ALDH1A1LMNAHPGDPOLBTAAR1
SCHEMBL8532952 0.76 ALDH1A1 (0.56) ALDH1A1LMNAHPGDPOLBTAAR1
SCHEMBL15282020 0.75 ALDH1A1 (0.59) ALDH1A1LMNAHPGDPOLBTAAR1
SCHEMBL15282075 0.73 KMT2A (0.59) ALDH1A1LMNAHPGDPOLBCNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2644596-B1 HAPTENS AND IMMUNOREACTIVE AGENTS AND USE THEREOF FOR PRODUCING FAMILY ANTIBODIES AND IMMUNOASSAYS FOR QUINOLONES CONSEJO SUPERIOR INVESTIGACION (ES) 2019-01-23 EP claimed
EP-2644596-B1 HAPTENS AND IMMUNOREACTIVE AGENTS AND USE THEREOF FOR PRODUCING FAMILY ANTIBODIES AND IMMUNOASSAYS FOR QUINOLONES CONSEJO SUPERIOR INVESTIGACION (ES) 2019-01-23 EP disclosed
US-10150736-B2 Haptens and immunoreactive agents and use thereof for producing family antibodies and immunoassays for quinolones CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2018-12-11 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-10150736-B2 Haptens and immunoreactive agents and use thereof for producing family antibodies and immunoassays for quinolones NQO2, NISCH, VIP ALDH1A1 2214/4885LMNA 3935/4885HPGD 434/4885

“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.