SCHEMBL4800295

SCHEMBL4800295

N[C@@H]1CSc2ccccc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 2/20 0.42
HSD17B10 Q99714 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.42
ALOX15 P16050 2/20 0.42
GLA P06280 1/20 0.42
USP2 O75604 1/20 0.42
ESR1 P03372 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
PTPN7 P35236 1/20 0.42
RECQL P46063 1/20 0.42
ESR2 Q92731 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
CREBBP Q92793 2/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL4495147 1.00 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPC1HSD17B10
SCHEMBL8905187 1.00 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPC1HSD17B10
Hydrochloric Acid SCHEMBL15565137 0.98 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPC1HSD17B10
Bromide SCHEMBL11008950 0.98 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ANPC1HSD17B10
Trifluoroacetic Acid SCHEMBL5886625 0.87 HSD17B10 (0.43) ALDH1A1MEN1KMT2ANPC1HSD17B10
Trifluoroacetic Acid SCHEMBL4801260 0.87 HSD17B10 (0.43) ALDH1A1MEN1KMT2ANPC1HSD17B10
SCHEMBL8853352 0.79 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ANPC1HSD17B10
SCHEMBL8802497 0.79 HSD17B10 (0.49) ALDH1A1MEN1KMT2ANPC1HSD17B10
SCHEMBL3149958 0.79 AHR (0.39) MEN1KMT2AALOX15RECQLTSHR
SCHEMBL8520772 0.79 EPHX2 (0.55) ALDH1A1MEN1KMT2ANPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425550-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MEYERS SQUIBB COMPANY (US) 2008-09-16 US disclosed
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use SHER PHILIP 2006-06-15 US disclosed
EP-0659179-B1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO INC (US) 2001-11-21 EP disclosed
US-5968924-A HAVE THE ABILITY TO STIMULATE THE RELEASE OF NATURAL OR ENDOGENOUS GROWTH HORMONE; TREATMENT OF OBESITY, OSTEOPOROSIS MERCK & CO., INC. (US) 1999-10-19 US disclosed
US-5672596-A ANIMAL GROWTH CONTROLLERS MERCK & CO., INC. (US) 1997-09-30 US disclosed
US-5618808-A Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists PFIZER, INC. (US) 1997-04-08 US disclosed
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 EP disclosed
EP-0659179-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1995-08-09 EP disclosed
EP-0659179-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-06-28 EP disclosed
EP-0648213-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-04-19 EP disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
WO-1994005634-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-03-17 WO disclosed
WO-1994001421-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-01-20 WO disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 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 (1 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-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 ALDH1A1 3723/4885MEN1 2794/4885KMT2A 1946/4885

“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.