SCHEMBL6439248

SCHEMBL6439248

CC(C)C(c1ccccn1)[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.41
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 2/20 0.40
MTOR P42345 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6883125 0.87 CXCR4 (0.42) CXCR4RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL6878662 0.82 CXCR4 (0.41) CXCR4RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL15742852 0.82 RAB9A (0.40) CXCR4RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL564329 0.82 RAB9A (0.42) CXCR4RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL15742427 0.82 RAB9A (0.42) CXCR4RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL563422 0.76 NPC1 (0.37) CXCR4RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL7288146 0.75 POLB (0.45) RAB9ANPC1SMN1; SMN2HPGDLMNA
SCHEMBL6872828 0.74 CBFB (0.39) CXCR4RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL6440091 0.72 CBFB (0.49) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL7139490 0.72 CXCR4 (0.37) CXCR4RAB9ANPC1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045200-B1 BENZIMIDAZOLES AND THEIR PHARMACEUTICAL USE THE UPJOHN COMPANY (US) 1988-03-02 EP claimed
US-4359465-A HETEROCYCLIC ALKYLSULFINYL BENZIMIDAZOLES THE UPJOHN COMPANY (US) 1982-11-16 US claimed
EP-0045200-A1 Benzimidazoles and their pharmaceutical use THE UPJOHN COMPANY (US) 1982-02-03 EP claimed
US-4045563-A Substituted 2-[pyridylalkylenesulfinyl]-benzimidazoles with gastric acid secretion inhibiting effects AB HASSLE (SW) 1977-08-30 US claimed
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis ATOPIX THERAPEUTICS LTD (GB) 2014-11-06 US disclosed
EP-1572098-A2 METHOD OF TREATING SNORING AND OTHER OBSTRUCTIVE BREATHING DISORDERS Sohn, Stearns & Stern (US) 2005-09-14 EP disclosed
US-20040258621-A1 Method of treating snoring and other obstructive breathing disorders SOHNSTEARNS & STERN 2004-12-23 US disclosed
WO-2004034973-A2 METHOD OF TREATING SNORING AND OTHER OBSTRUCTIVE BREATHING DISORDERS STERN WARREN (US) 2004-04-29 WO disclosed
EP-0045200-B1 BENZIMIDAZOLES AND THEIR PHARMACEUTICAL USE THE UPJOHN COMPANY (US) 1988-03-02 EP disclosed
US-4359465-A HETEROCYCLIC ALKYLSULFINYL BENZIMIDAZOLES THE UPJOHN COMPANY (US) 1982-11-16 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-20040258621-A1 Method of treating snoring and other obstructive breathing disorders HRH2, HRH1, HRH4 CXCR4 3293/4885RAB9A 2407/4885NPC1 646/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 CXCR4 900/4885RAB9A 561/4885NPC1 1315/4885

“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.