SCHEMBL6479983

SCHEMBL6479983

CC1(C)C(=O)N(C(CCCCF)c2nc3ccccc3[nH]2)c2ccccc2S1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
IDO1 P14902 1/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
KLK7 P49862 1/20 0.32
EHMT2 Q96KQ7 2/20 0.32
PTPN1 P18031 1/20 0.32
FPR1 P21462 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 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) ALDH1A1IDO1POLBALOX12TAAR1
SCHEMBL6481697 0.75 ALDH1A1 (0.39) ALDH1A1IDO1POLBALOX12TAAR1
SCHEMBL6480123 0.64 CYP2C19 (0.39) ALDH1A1POLBCYP3A4CYP2C9CYP2C19
SCHEMBL3221142 0.60 TAAR1 (0.60) ALDH1A1IDO1POLBALOX12TAAR1
SCHEMBL14029834 0.60 TAAR1 (0.56) ALDH1A1IDO1POLBALOX12TAAR1
SCHEMBL6244544 0.60 POLB (0.61) ALDH1A1IDO1POLBALOX12TAAR1
Hydrochloric Acid SCHEMBL5400129 0.59 TAAR1 (0.58) ALDH1A1IDO1POLBALOX12TAAR1
SCHEMBL3225709 0.59 TAAR1 (0.61) ALDH1A1IDO1POLBALOX12TAAR1
SCHEMBL14005055 0.59 TAAR1 (0.54) ALDH1A1IDO1POLBALOX12TAAR1
SCHEMBL29405275 0.58 ALDH1A1 (0.55) ALDH1A1IDO1POLBTAAR1KMT2A

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 2968/4885IDO1 1043/4885POLB 554/4885
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2968/4885IDO1 1043/4885POLB 554/4885

“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.