SCHEMBL22803956

SCHEMBL22803956

CCCCc1ccc(NC(=O)Nc2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.67
▸ MAOA P21397 3/20 0.53
▸ CA12 O43570 3/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CA9 Q16790 3/20 0.53
▸ MAOB P27338 2/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 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
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ IDH1 O75874 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL22803310 0.95 EPHX1 (0.71) EPHX1MAOACA12CA1CA2
SCHEMBL22803510 0.90 MAOA (0.60) EPHX1MAOACA12CA1CA2
SCHEMBL22803791 0.85 EPHX1 (0.58) EPHX1MAOACA12CA1CA2
SCHEMBL31668688 0.84 MAOA (0.66) EPHX1MAOAMAOBNPC1RAB9A
SCHEMBL22803534 0.84 EPHX1 (0.51) EPHX1MAOAMAOBNPC1RAB9A
SCHEMBL5616730 0.83 EPHX1 (0.50) EPHX1MAOBMEN1KMT2ANPC1
SCHEMBL22803696 0.82 NPC1 (0.67) EPHX1MAOAMAOBNPC1RAB9A
SCHEMBL14288522 0.82 EPHX1 (0.90) EPHX1MAOAMAOBNPC1RAB9A
SCHEMBL22803830 0.81 EPHX1 (0.97) EPHX1MAOAMAOBNPC1RAB9A
SCHEMBL15094124 0.81 CA12 (0.74) CA12CA1CA2CA9MEN1

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 EPHX1 4437/4885MAOA 455/4885CA12 4803/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 EPHX1 1188/4885MAOA 4309/4885CA12 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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