SCHEMBL6312464

SCHEMBL6312464

CC(C#N)Sc1ccc(C(=C(c2ccc(SC(C)C#N)cc2)c2ccc(SC(C)C#N)cc2)c2ccc(SC(C)C#N)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
AR P10275 2/20 0.31
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6823274 0.93 PLK1 (0.37) KDM4EALDH1A1KMT2A
SCHEMBL7835694 0.82 ESR1 (0.46) KDM4ENPC1PKMRAB9AMAPT
SCHEMBL4757844 0.73 ALDH1A1 (0.41) KDM4ENPC1PKMRAB9AALDH1A1
SCHEMBL6311776 0.71 CYP1A1 (0.47) KDM4ENPC1RAB9AHTTMAPT
SCHEMBL1019222 0.60 AR (0.49) ARALDH1A1TSHR
SCHEMBL12892651 0.59 ALDH1A1 (0.36) KDM4ERAB9AMAPTALDH1A1TSHR
SCHEMBL19672678 0.58 LMNA (0.35) HTTMAPTARALDH1A1TSHR
SCHEMBL5319294 0.58 HPGD (0.61) NPC1RAB9AHTTMAPTTDP1
SCHEMBL1021140 0.58 HTT (0.59) HTTMAPTALDH1A1TSHRLMNA
SCHEMBL3187325 0.58 MAPT (0.36) KDM4ENPC1PKMRAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927309-B2 Sulfur compounds and intermolecular compounds containing the same as the component compounds NIPPON SODA CO., LTD. (JP) 2005-08-09 US disclosed
US-20040176643-A1 Novel sulfur compounds and intermolecular compounds containing the same as the component compounds NIPPON SODA CO., LTD. (JP) 2004-09-09 US disclosed
US-6740782-B2 SUCH AS CLATHRATE 1,1,2,2-TETRAKIS(4-CHLOROSULFONYL-PHENYL)ETHYLENE; FOR IMPROVED PERFORMANCE DURING SEPARATION OF SUBSTANCES, CHEMICAL STABILIZATION, NON-VOLATILIZATION, SUSTAINED RELEASE, AND PULVERIZATION NIPPON SODA CO., LTD. (JP) 2004-05-25 US disclosed
US-20030130358-A1 Such as clathrate 1,1,2,2-tetrakis(4-chlorosulfonyl-phenyl)ethylene; for improved performance during separation of substances, chemical stabilization, non-volatilization, sustained release, and pulverization NIPPON SODA CO., LTD. (JP) 2003-07-10 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 (2 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-20040176643-A1 Novel sulfur compounds and intermolecular compounds containing the same as the component compounds CBS, TST, ABCB7 KDM4E 3952/4885NPC1 2334/4885PKM 2625/4885
US-20030130358-A1 Such as clathrate 1,1,2,2-tetrakis(4-chlorosulfonyl-phenyl)ethylene; for improved performance during separation of substances, chemical stabilization, non-volatilization, sustained release, and pulverization CBS, CCT4, TST KDM4E 1586/4885NPC1 1113/4885PKM 705/4885

“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.