SCHEMBL6490203

SCHEMBL6490203

O=C1CS(=O)(=O)c2ccccc2N1C(CCCCF)c1nc2ccccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
IDO1 P14902 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PTPN1 P18031 5/20 0.32
PADI2 Q9Y2J8 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL6481697 0.82 ALDH1A1 (0.39) ALDH1A1POLBIDO1L3MBTL1ALOX12
SCHEMBL6479983 0.82 ALDH1A1 (0.36) ALDH1A1POLBIDO1L3MBTL1ALOX12
SCHEMBL7746316 0.63 MEN1 (0.42) POLBL3MBTL1KMT2AGAA
SCHEMBL6480123 0.63 CYP2C19 (0.39) ALDH1A1POLBNPSR1GAAKDM4E
SCHEMBL10421113 0.62 KCNN4 (0.38) ALDH1A1KMT2AMAPK1HSD17B10
SCHEMBL3221142 0.58 TAAR1 (0.60) ALDH1A1POLBIDO1L3MBTL1ALOX12
SCHEMBL6244544 0.58 POLB (0.61) ALDH1A1POLBIDO1L3MBTL1ALOX12
Hydrochloric Acid SCHEMBL5400129 0.58 TAAR1 (0.58) ALDH1A1POLBIDO1L3MBTL1ALOX12
SCHEMBL4921708 0.57 IDO1 (1.00) ALDH1A1POLBIDO1L3MBTL1ALOX12
SCHEMBL7531020 0.57 ALDH1A1 (0.66) ALDH1A1POLBIDO1L3MBTL1ALOX12

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-6844342-B2 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-18 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents YU KUO-LONG (US) 2004-04-08 US disclosed
US-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2002-07-25 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-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2968/4885POLB 554/4885IDO1 1043/4885
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2968/4885POLB 554/4885IDO1 1043/4885

“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.