SCHEMBL18474287

SCHEMBL18474287

CNc1ccc(N)cc1N=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.38
▸ SIGMAR1 Q99720 3/20 0.37
▸ GAA P10253 6/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ TDP1 Q9NUW8 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ CASP6 P55212 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ELAVL1 Q15717 1/20 0.32

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
SCHEMBL18698222 0.80 SIGMAR1 (0.37) PRKCISIGMAR1GAAALDH1A1MAPT
SCHEMBL9706128 0.78 HPGD (0.41) GAAALDH1A1MAPTKDM4ECYP1A2
SCHEMBL13879940 0.76 SIGMAR1 (0.37) SIGMAR1GAAALDH1A1MAPTKDM4E
SCHEMBL13689913 0.76 HTT (0.36) GAAALDH1A1MAPTKDM4ETDP1
SCHEMBL18077360 0.76 KDM4E (0.49) GAAALDH1A1MAPTKDM4EGLA
SCHEMBL8995959 0.74 ALDH1A1 (0.59) PRKCIGAAALDH1A1MAPTKDM4E
SCHEMBL12990358 0.73 CYP3A4 (0.36) GAAALDH1A1MAPTKDM4ECYP1A2
SCHEMBL8033091 0.73 PRKCI (0.41) PRKCISIGMAR1GAAALDH1A1MAPT
SCHEMBL10314645 0.73 ALDH1A1 (0.36) ALDH1A1KDM4ETDP1SMN1; SMN2HSD17B10
SCHEMBL27890267 0.73 KMT2A (0.36) SIGMAR1ALDH1A1MAPTKDM4EGLA

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-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-05-02 — — US disclosed
US-10179175-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-01-15 — — US disclosed
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 — — US disclosed
US-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 — — US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 — — 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 (4 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-10179175-B2 Isatoic anhydride derivatives and applications thereof AASDHPPT, CA13, CA12 PRKCI 1003/4885SIGMAR1 4041/4885GAA 54/4885
US-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 PRKCI 1003/4885SIGMAR1 4041/4885GAA 54/4885
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 PRKCI 1003/4885SIGMAR1 4041/4885GAA 54/4885
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 PRKCI 1003/4885SIGMAR1 4041/4885GAA 54/4885

“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.

Send feedback