SCHEMBL2292334

SCHEMBL2292334

BrCc1cnc(-c2cccc(I)c2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
METAP2 P50579 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC3 O15379 3/20 0.34
HDAC4 P56524 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC10 Q969S8 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC9 Q9UKV0 3/20 0.34
HDAC5 Q9UQL6 3/20 0.34

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
SCHEMBL2290560 0.84 APP (0.44) APPCYP11B1CYP11B2METAP2HSD17B1
SCHEMBL4278243 0.80 ALOX15 (0.53) CYP11B1CYP11B2TSHRALOX15CASP1
SCHEMBL2432976 0.78 NOTUM (0.48) RAB9ANPC1GAAALDH1A1KDM4E
SCHEMBL27736328 0.76 NPC1 (0.55) RAB9ANPC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL2288784 0.76 APP (0.50) APPCYP11B1CYP11B2METAP2HSD17B1
SCHEMBL2291382 0.72 APP (0.44) APPMETAP2HSD17B1HSD17B2TSHR
SCHEMBL2292523 0.72 APP (0.47) APPMETAP2HSD17B1HSD17B2TSHR
SCHEMBL30913202 0.69 NPC1 (0.49) CYP11B1CYP11B2HSD17B1HSD17B2TSHR
SCHEMBL29282126 0.69 NPC1 (0.49) CYP11B1CYP11B2HSD17B1HSD17B2TSHR
SCHEMBL12102873 0.67 CYP4F2 (0.43) CYP11B1CYP11B2HSD17B1HSD17B2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2163554-B1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2012-08-01 EP disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
EP-2163554-A1 PYRIMIDODIAZEPINONE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2010-03-17 EP 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-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D APP 2686/4885CYP11B1 64/4885CYP11B2 52/4885

“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.