SCHEMBL6836616

SCHEMBL6836616

Cc1cc2nc(C=Cc3ccccc3)[nH]c2cc1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.75
▸ MAPT P10636 4/20 0.75
▸ MEN1 O00255 3/20 0.75
▸ KMT2A Q03164 3/20 0.75
▸ CACNA1B Q00975 1/20 0.75
▸ APBA1 Q02410 1/20 0.75
▸ MCL1 Q07820 1/20 0.75
▸ ATM Q13315 1/20 0.75
▸ NPC1 O15118 6/20 0.72
▸ RAB9A P51151 6/20 0.72
▸ ALDH1A1 P00352 4/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ HPGD P15428 3/20 0.64
▸ PKM P14618 2/20 0.64
▸ HSP90AA1 P07900 1/20 0.64
▸ TP53 P04637 1/20 0.57
▸ TUBB4A P04350 9/20 0.55
▸ TUBB P07437 9/20 0.55
▸ TUBA3C P0DPH7 9/20 0.55
▸ TUBA1B P68363 9/20 0.55

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
SCHEMBL6836889 1.00 KDM4E (0.75) KDM4EMAPTMEN1KMT2ACACNA1B
SCHEMBL4623517 0.87 MEN1 (0.72) KDM4EMAPTMEN1KMT2ACACNA1B
SCHEMBL20184766 0.87 MAPT (1.00) KDM4EMAPTMEN1KMT2ACACNA1B
SCHEMBL20184767 0.87 MAPT (1.00) KDM4EMAPTMEN1KMT2ACACNA1B
SCHEMBL13508624 0.86 MAPT (0.73) KDM4EMAPTMEN1KMT2ACACNA1B
SCHEMBL2458503 0.84 RAB9A (1.00) KDM4EMAPTMEN1KMT2ACACNA1B
SCHEMBL2458502 0.84 RAB9A (1.00) KDM4EMAPTMEN1KMT2ACACNA1B
SCHEMBL29467927 0.81 NPC1 (0.64) KDM4EMAPTMEN1KMT2ACACNA1B
SCHEMBL29467917 0.81 NPC1 (0.64) KDM4EMAPTMEN1KMT2ACACNA1B
SCHEMBL28698968 0.81 NPC1 (0.64) KDM4EMAPTMEN1KMT2ACACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947911-B Benzimidazole compound with anti-hepatitis B virus activity and antibacterial activity and synthesis method and application thereof 中山大学 2022-02-22 — — CN disclosed
CN-108947911-A A kind of benzimidazoles compound and its synthetic method and application with anti-hepatitis B activity and antibacterial activity 中山大学 2018-12-07 — — CN disclosed
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 — — US disclosed
US-6713482-B2 SUCH AS (E)-1-(2-PYRIDYL)-2-STYRYL-1H-BENZIMIDAZOLE; ANTIINFLAMMATORY AND ANALGESIC AGENTS; PROSTAGLANDIN INHIBITORS PFIZER INC. 2004-03-30 — — US disclosed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 — — US disclosed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 — — EP disclosed
US-6310079-B1 NON-STEROIDAL ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-10-30 — — US disclosed
EP-0937722-A1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER INC. (US) 1999-08-25 — — 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-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 KDM4E 1257/4885MAPT 4772/4885MEN1 4840/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 KDM4E 1153/4885MAPT 4736/4885MEN1 4821/4885

“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.

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