SCHEMBL16875669

SCHEMBL16875669

CC(=O)Nc1ccc(C(C)=O)c(OC(=O)c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ KMT2A Q03164 8/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 5/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL8511034 0.86 MAPT (0.49) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL31191034 0.85 CRHBP (0.39) CYP19A1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL31290998 0.85 CRHBP (0.39) CYP19A1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL15549951 0.81 MAPT (0.41) CA12CA1CA2CA9CYP19A1
SCHEMBL18973787 0.80 CYP19A1 (0.41) CYP19A1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL25359757 0.80 CYP19A1 (0.58) CYP19A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL25357971 0.80 CYP19A1 (0.39) CYP19A1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL25357966 0.80 ALDH1A1 (0.40) CYP19A1KMT2AMEN1ALDH1A1MAPT
SCHEMBL8512483 0.74 KMT2A (0.45) CYP19A1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL30623145 0.74 KMT2A (0.45) CYP19A1KMT2ASMN1; SMN2ALDH1A1MAPT

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
CN-118973616-A Trkb ligand conjugated compounds and uses thereof 阿达尔克斯制药有限公司 2024-11-15 — — CN disclosed
US-10596145-B2 Heterocyclic flavone derivatives, compositions, and methods related thereto EMORY UNIVERSITY (US) 2020-03-24 — — US disclosed
US-20190160040-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto UNIV EMORY (US) 2019-05-30 — — US disclosed
US-20180280342-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto UNIV EMORY (US) 2018-10-04 — — US disclosed
US-10010526-B2 Heterocyclic flavone derivatives, compositions, and methods related thereto EMORY UNIVERSITY (US) 2018-07-03 — — US disclosed
US-20170165225-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-15 — — US disclosed
US-20170165225-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-06-15 — — US disclosed
US-9593125-B2 Heterocyclic flavone derivatives, compositions, and methods related thereto EMORY UNIVERSITY (US) 2017-03-14 — — US disclosed
US-20150191481-A1 HETEROCYCLIC FLAVONE DERIVATIVES, COMPOSITIONS, AND METHODS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 — — 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 (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-20180280342-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto BDNF, NTRK2, RHOT2 MDM2 314/4885CA12 4800/4885CA1 2431/4885
US-10010526-B2 Heterocyclic flavone derivatives, compositions, and methods related thereto BDNF, NTRK2, RHOT2 MDM2 314/4885CA12 4800/4885CA1 2431/4885
US-20170165225-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto BDNF, NTRK2, RHOT2 MDM2 314/4885CA12 4800/4885CA1 2431/4885
US-10596145-B2 Heterocyclic flavone derivatives, compositions, and methods related thereto BDNF, NTRK2, RHOT2 MDM2 314/4885CA12 4800/4885CA1 2431/4885
US-20190160040-A1 Heterocyclic Flavone Derivatives, Compositions, and Methods Related Thereto BDNF, NTRK2, RHOT2 MDM2 314/4885CA12 4800/4885CA1 2431/4885
US-20150191481-A1 HETEROCYCLIC FLAVONE DERIVATIVES, COMPOSITIONS, AND METHODS RELATED THERETO BDNF, NTRK2, RHOT2 MDM2 308/4885CA12 4768/4885CA1 2251/4885

“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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