SCHEMBL2699985

SCHEMBL2699985

COC(=O)c1ccc(CC(=N)N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
MAPT P10636 2/20 0.55
CYP4A11 Q02928 2/20 0.53
CYP4F2 P78329 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 2/20 0.51
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
NPC1 O15118 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA7 P43166 1/20 0.50
TP53 P04637 1/20 0.49
EPHX1 P07099 1/20 0.48
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL5752775 0.85 LOXL2 (0.67) LOXL2MAPTCYP4A11CYP4F2MEN1
SCHEMBL5635456 0.84 LOXL2 (0.59) LOXL2MAPTCYP4A11CYP4F2MEN1
SCHEMBL9135073 0.83 LOXL2 (0.59) LOXL2MAPTCYP4A11CYP4F2CA1
SCHEMBL1198999 0.82 LOXL2 (0.62) LOXL2MAPTCYP4A11CYP4F2MEN1
Hydrochloric Acid SCHEMBL26962331 0.82 LOXL2 (0.58) LOXL2MAPTCYP4A11CYP4F2MEN1
SCHEMBL20259350 0.81 LOXL2 (0.66) LOXL2MAPTCYP4A11CYP4F2MEN1
SCHEMBL24258017 0.81 LOXL2 (0.56) LOXL2MAPTCYP4A11CYP4F2MEN1
SCHEMBL21169876 0.81 LOXL2 (0.56) LOXL2MAPTCYP4A11CYP4F2MEN1
SCHEMBL2711148 0.80 LOXL2 (0.67) LOXL2MAPTCYP4A11CYP4F2RAB9A
SCHEMBL12894416 0.80 LMNA (0.62) LOXL2MAPTCYP4A11CYP4F2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169621-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2022-06-02 US disclosed
US-20210387954-A1 OXADIAZOLES AS FUNGICIDES PI INDUSTRIES LIMITED (IN) 2021-12-16 US disclosed
US-20200354326-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI PI INDUSTRIES LTD. (IN) 2020-11-12 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 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 (6 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 LOXL2 1351/4885MAPT 1634/4885CYP4A11 1691/4885
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 LOXL2 2568/4885MAPT 2011/4885CYP4A11 2802/4885
US-20200354326-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI OXA1L, CYP51A1, CYP1A1 LOXL2 350/4885MAPT 3395/4885CYP4A11 166/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 LOXL2 1351/4885MAPT 1634/4885CYP4A11 1691/4885
US-20220169621-A1 OXADIAZOLES FOR USE IN CONTROLLING PHYTOPATHOGENIC FUNGI OXA1L, CYP51A1, CYP1A1 LOXL2 350/4885MAPT 3395/4885CYP4A11 166/4885
US-20210387954-A1 OXADIAZOLES AS FUNGICIDES CYP1B1, CYP1A1, OXA1L LOXL2 1157/4885MAPT 3333/4885CYP4A11 28/4885

“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.