SCHEMBL5138912

SCHEMBL5138912

c1ccc2c(c1)Nc1c(cccc1N1CCCCC1)O2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.47
KEAP1 Q14145 1/20 0.41
MAPK1 P28482 2/20 0.40
P2RX4 Q99571 1/20 0.40
GAA P10253 3/20 0.38
NPC1 O15118 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
ALOX12 P18054 1/20 0.36
MAP2K1 Q02750 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRB1 P08588 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
PRKDC P78527 1/20 0.33

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
SCHEMBL3662427 0.87 ADRB1 (0.49) ALOX5ALDH1A1ADRB1KDM4ETSHR
SCHEMBL8416187 0.71 GAA (0.48) KEAP1MAPK1GAANPC1NPSR1
SCHEMBL10446112 0.70 KEAP1 (0.41) KEAP1MAPK1GAANPC1ALDH1A1
SCHEMBL27550057 0.69 KEAP1 (0.43) KEAP1MAPK1GAANPC1ALDH1A1
SCHEMBL1867030 0.68 ALOX5 (0.59) ALOX5GAANPSR1ALDH1A1MAPT
SCHEMBL1867028 0.68 ALOX5 (0.59) ALOX5GAANPSR1ALDH1A1MAPT
SCHEMBL5320399 0.68 ALOX5 (0.59) ALOX5GAANPSR1ALDH1A1MAPT
SCHEMBL89676 0.68 ALOX5 (0.59) ALOX5GAANPSR1ALDH1A1MAPT
SCHEMBL339368 0.68 ALOX5 (0.60) ALOX5GAANPSR1MAPTL3MBTL1
SCHEMBL1919570 0.68 ALOX5 (0.59) ALOX5GAANPSR1ALDH1A1MAPT

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
CN-108349961-B Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents 西奈山伊坎医学院 2022-02-18 CN disclosed
US-10759790-B2 Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents ICHAN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-09-01 US disclosed
US-20180251456-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICHAN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-09-06 US disclosed
CN-108349961-A Heterocycle is limited tricyclic sulfonamide as antitumor and anticancer agent 西奈山伊坎医学院 2018-07-31 CN disclosed
US-7432257-B2 Piperdinyl-phenoxazine and phenothiazine derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-07 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 (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-10759790-B2 Heterocyclic constrained tricyclic sulfonamides as anti-cancer agents FOXO1, HDAC3, HDAC6 ALOX5 4631/4885KEAP1 1203/4885MAPK1 2706/4885
US-20180251456-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS FOXO1, HDAC3, HDAC6 ALOX5 4631/4885KEAP1 1203/4885MAPK1 2706/4885

“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.