SCHEMBL22803510

SCHEMBL22803510

CCCCc1ccc(NC(=O)Nc2ccc3cc[nH]c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.60
▸ EPHX1 P07099 1/20 0.54
▸ CA12 O43570 3/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CA9 Q16790 3/20 0.53
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ IDH1 O75874 1/20 0.50
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ ESR1 P03372 2/20 0.47

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
SCHEMBL22803791 0.95 EPHX1 (0.58) MAOAEPHX1CA12CA1CA2
SCHEMBL22803956 0.90 EPHX1 (0.67) MAOAEPHX1CA12CA1CA2
SCHEMBL22803505 0.89 MAOA (0.56) MAOAEPHX1NPC1RAB9AMEN1
SCHEMBL22803310 0.85 EPHX1 (0.71) MAOAEPHX1CA12CA1CA2
SCHEMBL22246693 0.84 MAOA (0.53) MAOAEPHX1NPC1RAB9AHDAC1
SCHEMBL31668714 0.84 ESR1 (0.61) MAOAEPHX1NPC1RAB9AIDH1
SCHEMBL22803724 0.82 ESR1 (0.63) MAOAEPHX1NPC1RAB9AIDH1
SCHEMBL22803819 0.81 EPHX1 (0.80) MAOAEPHX1HDAC1HDAC2ESR1
SCHEMBL15094124 0.81 CA12 (0.74) CA12CA1CA2CA9NPC1
SCHEMBL22803794 0.80 EPHX1 (0.82) MAOAEPHX1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131376-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA UNIVERSITY OF NOTRE DAME DU LAC 2023-04-27 — — US disclosed
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 — — US disclosed
WO-2021211123-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-10-21 — — WO disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 — — WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 — — WO 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-20230131376-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA TLR4, TLR5, TLR1 MAOA 455/4885EPHX1 4437/4885CA12 4803/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 MAOA 4309/4885EPHX1 1188/4885CA12 1230/4885

“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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