SCHEMBL6491890

SCHEMBL6491890

O=C1N(C(CCCCF)c2nc3ccccc3[nH]2)c2ccccc2S(=O)(=O)N1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
POLB P06746 2/20 0.34
IDO1 P14902 1/20 0.34
TSHR P16473 1/20 0.33
PTPN1 P18031 6/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
FPR1 P21462 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX12 P18054 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
KLK7 P49862 1/20 0.31

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
SCHEMBL6490203 0.82 ALDH1A1 (0.36) ALDH1A1POLBIDO1PTPN1L3MBTL1
SCHEMBL6479983 0.81 ALDH1A1 (0.36) ALDH1A1POLBIDO1TSHRPTPN1
SCHEMBL6499678 0.77 OPRL1 (0.37)
SCHEMBL6481697 0.75 ALDH1A1 (0.39) ALDH1A1POLBIDO1L3MBTL1KDM4E
SCHEMBL6783759 0.68 TNKS (0.38) ALDH1A1POLBTSHRSMN1; SMN2KDM4E
SCHEMBL6480123 0.61 CYP2C19 (0.39) ALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL3221142 0.57 TAAR1 (0.60) ALDH1A1POLBIDO1SMN1; SMN2L3MBTL1
SCHEMBL1099367 0.57 ALDH1A1 (0.58) ALDH1A1POLBIDO1TSHRLMNA
SCHEMBL6244544 0.56 POLB (0.61) ALDH1A1POLBIDO1TSHRLMNA
Hydrochloric Acid SCHEMBL5400129 0.56 TAAR1 (0.58) ALDH1A1POLBIDO1SMN1; SMN2L3MBTL1

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.