SCHEMBL1290789

SCHEMBL1290789

CC(C)(C)c1cccc(OCCN)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
TAAR1 Q96RJ0 1/20 0.52
SOD1 P00441 1/20 0.50
LTA4H P09960 1/20 0.46
PLA2G2A P14555 1/20 0.46
FFAR1 O14842 3/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
KIF11 P52732 1/20 0.41
ROCK2 O75116 1/20 0.40
PRKACA P17612 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
SCHEMBL12062140 0.91 L3MBTL1 (0.58) L3MBTL1LMNAPOLBHTTSMN1; SMN2
SCHEMBL13959275 0.86 SMN1; SMN2 (0.51) L3MBTL1LMNAPOLBHTTSMN1; SMN2
SCHEMBL21849219 0.86 L3MBTL1 (0.56) L3MBTL1LMNAPOLBHTTSOD1
SCHEMBL10211503 0.84 L3MBTL1 (0.57) L3MBTL1LMNAPOLBHTTSMN1; SMN2
SCHEMBL12062254 0.83 L3MBTL1 (0.54) L3MBTL1LMNAPOLBHTTSMN1; SMN2
SCHEMBL6474696 0.82 L3MBTL1 (0.56) L3MBTL1LMNAPOLBHTTSMN1; SMN2
SCHEMBL13165245 0.82 L3MBTL1 (0.56) L3MBTL1LMNAPOLBHTTSMN1; SMN2
SCHEMBL3524104 0.82 L3MBTL1 (0.59) L3MBTL1LMNATAAR1LTA4HMAOB
SCHEMBL4404594 0.82 L3MBTL1 (0.56) L3MBTL1LMNAPOLBHTTSMN1; SMN2
SCHEMBL12251342 0.82 L3MBTL1 (0.60) L3MBTL1LMNAPOLBHTTSOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822115-B2 Nitrogen containing compounds and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-11-21 US disclosed
US-9822115-B2 Nitrogen containing compounds and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-11-21 US disclosed
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2016-12-08 US disclosed
US-9376430-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-06-28 US disclosed
US-9333193-B2 Compositions and methods for treating tuberculosis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-05-10 US disclosed
US-8835644-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-09-16 US disclosed
WO-2012045729-A1 IMIDAZO [1, 2 -A] PYRIDINE AND PYRAZOLO [1, 5 -A] PYRIDINE DERIVATIVES AS TRPV1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-12 WO disclosed
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-12 US disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 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 (3 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 L3MBTL1 4624/4885LMNA 3437/4885POLB 2749/4885
US-20160355516-A1 NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NOS2, NOS1, NCF1 L3MBTL1 2583/4885LMNA 2613/4885POLB 597/4885
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 L3MBTL1 1475/4885LMNA 3713/4885POLB 2331/4885

“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.