SCHEMBL7083571

SCHEMBL7083571

CCCCCC(=O)c1ccc[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
HSD17B10 Q99714 1/20 0.53
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
HSD17B3 P37058 6/20 0.47
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL9150872 0.98 TSHR (0.59) TSHRRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21061174 0.98 TSHR (0.59) TSHRRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9049759 0.98 TSHR (0.59) TSHRRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16516272 0.98 TSHR (0.59) TSHRRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL30807225 0.95 TSHR (0.62) TSHRRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16135260 0.87 ALDH1A1 (0.54) TSHRHSD17B10ALDH1A1
SCHEMBL3170534 0.87 TSHR (0.67) TSHRRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3732352 0.85 TSHR (0.49) TSHRRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3731031 0.85 TSHR (0.49) TSHRRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9013819 0.83 CES2 (0.56) TSHRRAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446048-B2 Methods for treating leukemia and disorders mediated by CBFβ and RUNX1 proteins THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-20 US disclosed
EP-2685985-B1 METHODS FOR TREATING LEUKEMIA AND DISORDERS MEDIATED BY CBF AND RUNX1 PROTEINS US HEALTH (US) 2016-08-31 EP disclosed
EP-2685985-A1 METHODS FOR TREATING LEUKEMIA AND DISORDERS MEDIATED BY CBF AND RUNX1 PROTEINS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2014-01-22 EP disclosed
US-20140004082-A1 METHODS FOR TREATING LEUKEMIA AND DISORDERS MEDIATED BY CBFBETA AND RUNX1 PROTEINS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-01-02 US disclosed
WO-2012125787-A1 METHODS FOR TREATING LEUKEMIA AND DISORDERS MEDIATED BY CBFβ AND RUNX1 PROTEINS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVIC (US) 2012-09-20 WO disclosed
EP-1154996-B1 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN ORTHO MCNEIL PHARM INC (US) 2003-11-05 EP disclosed
US-6369228-B2 ANTICONVULSANTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-04-09 US disclosed
US-20010044452-A1 Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain CARSON JOHN R (US) 2001-11-22 US disclosed
EP-1154996-A2 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN Ortho-McNeil Pharmaceutical, Inc. (US) 2001-11-21 EP disclosed
US-6191142-B1 Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-02-20 US disclosed
WO-2000048584-A2 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-08-24 WO disclosed
US-5332736-A Anti-convulsant aroyl aminoacylpyrroles ORTHO PHARMACEUTICAL CORPORATION (US) 1994-07-26 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-20140004082-A1 METHODS FOR TREATING LEUKEMIA AND DISORDERS MEDIATED BY CBFBETA AND RUNX1 PROTEINS CBFB, RUNX1, MCL1 TSHR 4188/4885RAB9A 2887/4885SMN1; SMN2 3033/4885
US-20010044452-A1 Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain OPRL1, AADAT, OPRK1 TSHR 3548/4885RAB9A 1505/4885SMN1; SMN2 1076/4885

“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.