SCHEMBL672224

SCHEMBL672224

CC1(C)N=C(N)N=C(N)N1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
DHFR P00374 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL672319 0.79 DHFR (0.73) CYP2D6DHFRSMN1; SMN2TP53HIF1A
SCHEMBL14974477 0.77 DHFR (0.60) CYP2D6DHFRSMN1; SMN2TP53HIF1A
SCHEMBL672323 0.71 DHFR (0.74) CYP2D6DHFRSMN1; SMN2TP53HIF1A
SCHEMBL671214 0.71 DHFR (1.00) CYP2D6DHFRSMN1; SMN2TP53HIF1A
SCHEMBL670848 0.70 DHFR (0.71) CYP2D6DHFRSMN1; SMN2TP53HIF1A
SCHEMBL19951296 0.70 KDM4E (0.59) SMN1; SMN2ALDH1A1KDM4ETDP1TSHR
SCHEMBL670955 0.70 DHFR (0.67) CYP2D6DHFRSMN1; SMN2TP53HIF1A
SCHEMBL8802767 0.67 TSHR (0.56) SMN1; SMN2ALDH1A1KDM4ETDP1TSHR
SCHEMBL2716970 0.67 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1KDM4ETDP1MAPT
SCHEMBL11619414 0.67 TSHR (0.48) SMN1; SMN2ALDH1A1KDM4ETDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11844802-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2023-12-19 US disclosed
US-20230044670-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2023-02-09 US disclosed
US-11471461-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2022-10-18 US disclosed
US-20210100806-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2021-04-08 US disclosed
US-10888565-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2021-01-12 US disclosed
US-20200121687-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2020-04-23 US disclosed
US-20180207166-A1 Compounds and Compositions for Ossification and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-26 US disclosed
US-9808464-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2017-11-07 US disclosed
EP-3187197-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO Emory University (US) 2017-07-05 EP disclosed
EP-2605804-B1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO UNIV EMORY (US) 2017-03-15 EP disclosed
US-20170035771-A1 Compounds and Compositions for Ossification and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-09 US disclosed
US-9511071-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2016-12-06 US disclosed
EP-2605804-A2 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO Emory University (US) 2013-06-26 EP disclosed
US-20130137634-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-05-30 US disclosed
WO-2012024489-A2 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2012-02-23 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 (9 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-10888565-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 CYP2D6 3187/4885CYP1A2 3253/4885CYP2C19 4470/4885
US-20130137634-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO BMP2, SOST, BMP4 CYP2D6 3187/4885CYP1A2 3253/4885CYP2C19 4470/4885
US-20180207166-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 CYP2D6 3187/4885CYP1A2 3253/4885CYP2C19 4470/4885
US-11471461-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 CYP2D6 3187/4885CYP1A2 3253/4885CYP2C19 4470/4885
US-20230044670-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 CYP2D6 3187/4885CYP1A2 3253/4885CYP2C19 4470/4885
US-20210100806-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 CYP2D6 3187/4885CYP1A2 3253/4885CYP2C19 4470/4885
US-20170035771-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 CYP2D6 3187/4885CYP1A2 3253/4885CYP2C19 4470/4885
US-20200121687-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 CYP2D6 3187/4885CYP1A2 3253/4885CYP2C19 4470/4885
US-11844802-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 CYP2D6 3187/4885CYP1A2 3253/4885CYP2C19 4470/4885

“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.