SCHEMBL1623770

SCHEMBL1623770

C[N+](=O)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.50
TSHR P16473 1/20 0.42
NPBWR1 P48145 1/20 0.42
LMNA P02545 2/20 0.41
TYR P14679 1/20 0.41
XDH P47989 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NOTUM Q6P988 1/20 0.38
HDAC1 Q13547 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL16417746 0.93 TSHR (0.48) KIF11TSHRNPBWR1LMNATYR
SCHEMBL2660487 0.83 NPBWR1 (0.54) KIF11NPBWR1LMNANPC1RAB9A
SCHEMBL15293412 0.81 RXRA (0.46) KIF11NPBWR1LMNANPC1RAB9A
SCHEMBL26915 0.80 KIF11 (0.70) KIF11TSHRLMNATYRXDH
SCHEMBL3423876 0.80 KIF11 (0.70) KIF11TSHRLMNATYRXDH
SCHEMBL1931781 0.77 KIF11 (0.67) KIF11TSHRLMNATYRXDH
SCHEMBL397351 0.74 HSD17B10 (0.56) NPBWR1LMNANPC1RAB9AALDH1A1
SCHEMBL9938320 0.73 KIF11 (0.56) KIF11TSHRLMNATYRXDH
SCHEMBL4397704 0.73 KIF11 (0.56) KIF11TSHRLMNATYRXDH
SCHEMBL23319641 0.72 KIF11 (0.61) KIF11TSHRLMNATYRXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791104-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-07-29 US disclosed
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-03 US disclosed
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-12 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 (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-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 KIF11 4574/4885TSHR 980/4885NPBWR1 359/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 KIF11 4574/4885TSHR 980/4885NPBWR1 359/4885

“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.