SCHEMBL12376719

SCHEMBL12376719

CC(C)NC(=O)c1ccccc1Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.60
MAPT P10636 2/20 0.60
RECQL P46063 1/20 0.60
RAB9A P51151 1/20 0.60
KDM4E B2RXH2 2/20 0.59
L3MBTL1 Q9Y468 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CTNNB1 P35222 1/20 0.57
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 3/20 0.54
GAA P10253 2/20 0.53
TSHR P16473 1/20 0.53
MAPK8 P45983 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL11509066 0.86 RAB9A (0.53) NPSR1MAPTRECQLRAB9AKDM4E
SCHEMBL11511333 0.84 RAB9A (0.54) NPSR1MAPTRECQLRAB9AKDM4E
SCHEMBL6846935 0.83 RAB9A (0.63) NPSR1RAB9AKDM4EL3MBTL1MEN1
SCHEMBL28690894 0.81 BCL2L1 (0.56) NPSR1RAB9AKDM4EL3MBTL1TDP1
SCHEMBL28690896 0.81 BCL2L1 (0.56) NPSR1RAB9AKDM4EL3MBTL1TDP1
SCHEMBL18893131 0.81 L3MBTL1 (0.74) MAPTRAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL974852 0.81 CTNNB1 (0.62) NPSR1RAB9AKDM4EL3MBTL1MEN1
SCHEMBL27517198 0.80 RAB9A (0.60) NPSR1RAB9AKDM4EL3MBTL1MEN1
SCHEMBL19531891 0.79 IRAK4 (0.64) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10137793 0.79 CTNNB1 (0.61) NPSR1MAPTRECQLRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220009914-A1 Analogs of Nitrofuran Antibiotics to Combat Resistance NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-13 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
CN-1678311-A Arylcarbonyl derivatives useful as therapeutic agents NOVO NORDISK AS (DK) 2005-10-05 CN 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC NPSR1 638/4885MAPT 4444/4885RECQL 2381/4885
US-20220009914-A1 Analogs of Nitrofuran Antibiotics to Combat Resistance ATF4, ATF1, FBL NPSR1 3534/4885MAPT 4442/4885RECQL 3511/4885

“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.