SCHEMBL84833

SCHEMBL84833

Nc1nc2cc(CC(=O)O)ccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
NFKB1 P19838 3/20 0.55
NFKB2 Q00653 3/20 0.55
RELA Q04206 3/20 0.55
HPGD P15428 2/20 0.55
STAT1 P42224 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.48
PKM P14618 2/20 0.48
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46

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
SCHEMBL73741 0.88 RAB9A (0.62) KDM4ERAB9ANPC1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL3592885 0.86 RAB9A (0.60) KDM4ERAB9ANPC1HPGDSMN1; SMN2
SCHEMBL84403 0.82 NPC1 (0.67) KDM4ERAB9ANPC1NFKB1NFKB2
SCHEMBL7231445 0.81 HSD17B10 (0.67) KDM4ERAB9ANPC1NFKB1NFKB2
SCHEMBL9326414 0.81 KDM4E (0.65) KDM4ERAB9ANPC1NFKB1NFKB2
Methane SCHEMBL11880803 0.81 KDM4E (0.97) KDM4ERAB9ANPC1NFKB1NFKB2
SCHEMBL18364999 0.80 HSD17B10 (0.65) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL27594627 0.80 KDM4E (0.63) KDM4ERAB9ANPC1NFKB1NFKB2
SCHEMBL10913446 0.80 CA2 (0.61) KDM4ERAB9ANPC1NFKB1NFKB2
SCHEMBL3501001 0.79 KDM4E (1.00) KDM4ERAB9ANPC1NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129374-B2 Method of using imidazolothiazole compounds for the treatment of disease AMBIT BIOSCIENCE CORPORATION (US) 2012-03-06 US disclosed
US-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION 2010-11-25 US disclosed
US-7820657-B2 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION (US) 2010-10-26 US disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
EP-0646112-A4 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS. ABBOTT LAB (US) 1997-04-02 EP disclosed
EP-0646112-A1 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1995-04-05 EP disclosed
US-5288749-A Treating central nervous system or cardiovascular disorders ABBOTT LABORATORIES (US) 1994-02-22 US disclosed
WO-1993012754-A2 TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1993-07-08 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 (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-20100298313-A1 METHOD OF USING IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK5 KDM4E 4486/4885RAB9A 3357/4885NPC1 1204/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK KDM4E 1585/4885RAB9A 3007/4885NPC1 3817/4885

“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.