SCHEMBL2776923

SCHEMBL2776923

CCc1ccc2c(c1)nc(NCCCN1CCOCC1)n[n+]2[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.46
KDM1A O60341 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
KDM4E B2RXH2 6/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
RAD52 P43351 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 5/20 0.43
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
GAS6 Q14393 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL2777052 0.88 ALDH1A1 (0.52) KDM1AEHMT2RCOR1KDM4ELMNA
SCHEMBL6674272 0.84 ALDH1A1 (0.47) KDM1AEHMT2RCOR1KDM4ELMNA
SCHEMBL2244447 0.82 HRH3 (0.42) KDM1AEHMT2RCOR1KDM4ELMNA
SCHEMBL6674637 0.82 ALDH1A1 (0.53) KDM1AEHMT2RCOR1KDM4ELMNA
SCHEMBL2776697 0.82 TRPC5 (0.39) TRPC5KDM4ELMNAPOLBNPC1
SCHEMBL6032272 0.81 TRPC5 (0.48) TRPC5KDM1AEHMT2RCOR1KDM4E
SCHEMBL6677381 0.81 APP (0.48) KDM4ELMNAPOLBRAB9AKMT2A
SCHEMBL6674324 0.80 PIK3CA (0.48) KDM4ELMNAPOLBRAB9ANPSR1
SCHEMBL2246095 0.80 KDM4E (0.42) KDM1AEHMT2RCOR1KDM4ELMNA
SCHEMBL2242700 0.80 KDM1A (0.41) KDM1AEHMT2RCOR1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 US disclosed
US-7816521-B2 1,2,4-benzotriazine-1,4-dioxides AUCKLAND UNISERVICES LIMITED (NZ) 2010-10-19 US disclosed
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-23 US disclosed
US-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-23 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 (1 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-20070197534-A1 Novel 1,2,4-benzotriazine-1,4-dioxides HIF1AN, HIF1A, HYOU1 TRPC5 42/4885KDM1A 358/4885EHMT2 1215/4885

“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.