SCHEMBL7472806

SCHEMBL7472806

O=C(O)n1cnc2c([N+](=O)[O-])cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
MET P08581 1/20 0.42
GPR35 Q9HC97 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
FGFR1 P11362 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2860553 0.82 MET (0.40) PDE10ATDP1L3MBTL1ALDH1A1MEN1
SCHEMBL2951988 0.81 PDE10A (0.47) PDE10ATDP1TSHRALDH1A1MEN1
SCHEMBL28194847 0.78 PDE10A (0.47) PDE10ATDP1TSHRALDH1A1MEN1
SCHEMBL15826054 0.77 PDE10A (0.44) PDE10ATDP1L3MBTL1ALDH1A1MEN1
SCHEMBL3875167 0.75 ASAH1 (0.41) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL27903999 0.74 MEN1 (0.57) ALDH1A1MEN1KMT2ADCTPP1LMNA
SCHEMBL7477788 0.73 ADA (0.43) MEN1KMT2ASMN1; SMN2
SCHEMBL16246424 0.73 EGLN1 (0.43) TDP1TSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL23926472 0.73 TDP1 (0.48) TDP1TSHRL3MBTL1ALDH1A1HTT
SCHEMBL11213354 0.71 GPR35 (0.44) TDP1TSHRL3MBTL1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO 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-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 PDE10A 1863/4885TDP1 3410/4885TSHR 2614/4885

“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.