SCHEMBL12377865

SCHEMBL12377865

Cc1cccc(-c2nc(C(=O)N3CCOCC3)co2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
LMNA P02545 1/20 0.49
PDE4B Q07343 6/20 0.49
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PLAUR Q03405 1/20 0.45

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
SCHEMBL10029551 0.78 HDAC1 (0.51) RAB9ANPC1PDE4BALDH1A1SMN1; SMN2
SCHEMBL9900075 0.77 ALDH1A1 (0.68) RAB9ANPC1PDE4BALDH1A1SMN1; SMN2
SCHEMBL12377858 0.75 HSD17B1 (0.48) PDE4BALDH1A1
SCHEMBL12377859 0.75 HDAC1 (0.58) LMNAPDE4BALDH1A1TP53MAPK1
SCHEMBL12377852 0.75 HDAC1 (0.51) RAB9ANPC1PDE4BALDH1A1TP53
SCHEMBL13823952 0.73 MAPT (0.49) RAB9ANPC1ALDH1A1TP53MAPK1
SCHEMBL20977989 0.73 RAB9A (0.39) RAB9ANPC1PDE4BALDH1A1TP53
SCHEMBL7491 0.72 HPGD (0.71) RAB9ALMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL12377853 0.72 HDAC1 (0.54) RAB9ANPC1LMNAPDE4BALDH1A1
SCHEMBL23773410 0.71 TACR3 (0.57) RAB9ANPC1MAPK1KMT2AKDM4E

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
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US 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
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 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 (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 RAB9A 2645/4885NPC1 1132/4885LMNA 2244/4885

“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.