SCHEMBL20577692

SCHEMBL20577692

CCOC(=O)c1cn(CCCSC(c2ccccc2)c2ccccc2)c2cc(Cl)c(F)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.46
P2RX3 P56373 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CNR1 P21554 4/20 0.42
CNR2 P34972 3/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL20577731 0.93 KMT2A (0.56) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL20656546 0.89 TOP1 (0.43) KMT2APOLBALDH1A1KDM4EHPGD
SCHEMBL20656550 0.84 TDP1 (0.46) KMT2APOLBP2RX3ALDH1A1CNR1
SCHEMBL4659798 0.82 KMT2A (0.54) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL17775886 0.81 P2RX3 (0.60) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL20577690 0.81 ALDH1A1 (0.45) KMT2APOLBALDH1A1KDM4EHPGD
SCHEMBL7035140 0.81 KMT2A (0.57) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL15282075 0.80 KMT2A (0.59) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL7041173 0.80 KMT2A (0.56) KMT2APOLBP2RX3ALDH1A1KDM4E
SCHEMBL11067835 0.80 KMT2A (0.60) KMT2APOLBP2RX3ALDH1A1KDM4E

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 KMT2A 2527/4885POLB 3704/4885P2RX3 574/4885

“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.