SCHEMBL4654471

SCHEMBL4654471

N#CCCSc1ccc(C(=C(c2ccc(SCCC#N)cc2)c2ccc(SCCC#N)cc2)c2ccc(SCCC#N)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
CYP19A1 P11511 3/20 0.36
ALDH1A1 P00352 7/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ESR1 P03372 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
MCL1 Q07820 1/20 0.34
ESR2 Q92731 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL6823277 0.91 PLK1 (0.36) MAOAMAOBCYP19A1ALDH1A1HPGD
SCHEMBL7835696 0.82 CYP19A1 (0.41) MAOAMAOBCYP19A1ALDH1A1HPGD
SCHEMBL16591748 0.78 MAOB (0.40) MAOAMAOBALDH1A1HPGDHSD17B10
SCHEMBL11617330 0.78 MAOA (0.49) MAOAMAOBALDH1A1HPGDMAPT
SCHEMBL15856977 0.78 NPC1 (0.47) ALDH1A1HPGDHSD17B10ESR1MAPT
SCHEMBL6402484 0.77 ALDH1A1 (0.61) MAOAMAOBALDH1A1KMT2AMAPK1
SCHEMBL16583152 0.73 ALDH1A1 (0.54) MAOAMAOBALDH1A1KMT2ANPC1
SCHEMBL4757846 0.73 ALDH1A1 (0.41) MAOAMAOBALDH1A1HPGDHSD17B10
SCHEMBL10587998 0.71 CYP1B1 (0.54) MAOAMAOBCYP19A1ALDH1A1MAPT
SCHEMBL8746038 0.71 CYP19A1 (0.44) MAOAMAOBCYP19A1ALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306369-B1 NOVEL SULFUR COMPOUNDS AND INTERMOLECULAR COMPOUNDS CONTAINING THE SAME AS THE COMPONENT COMPOUND NIPPON SODA CO (JP) 2008-11-05 EP disclosed
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
EP-1306369-A1 NOVEL SULFUR COMPOUNDS AND INTERMOLECULAR COMPOUNDS CONTAINING THE SAME AS THE COMPONENT COMPOUND NIPPON SODA CO., LTD. (JP) 2003-05-02 EP 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 MAOA 3956/4885MAOB 3052/4885CYP19A1 3449/4885
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 MAOA 4649/4885MAOB 4518/4885CYP19A1 3132/4885

“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.