SCHEMBL2887171

SCHEMBL2887171

COc1ccc(C(=O)Nc2ncc(Br)cc2Br)cc1OC(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 4/20 0.47
POLB P06746 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PDE4D Q08499 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
BRD4 O60885 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.43
PDE4B Q07343 3/20 0.42
SMPD1 P17405 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL30084824 1.00 RAB9A (0.47) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL2887182 0.96 RAB9A (0.52) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL29824581 0.96 RAB9A (0.52) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL7371319 0.74 PDE4D (0.80) PDE4DPDE4BPDE4APDE4C
SCHEMBL30084831 0.74 PDE4D (0.80) PDE4DPDE4BPDE4APDE4C
SCHEMBL2887046 0.73 NPC1 (0.58) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL29824491 0.73 NPC1 (0.58) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL30084823 0.72 RAB9A (0.55) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL2891499 0.72 RAB9A (0.55) RAB9ANPC1POLBTDP1SMN1; SMN2
SCHEMBL2887392 0.72 PDE4D (0.66) RAB9ANPC1POLBTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240316015-A1 COMPOSITION AND METHOD FOR TREATING TUMORS NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2024-09-26 US disclosed
EP-4282413-A1 COMPOSITION AND METHOD FOR TREATING TUMORS NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-11-29 EP disclosed
CN-116963773-A Compositions and methods for treating tumors 浙江养生堂天然药物研究所有限公司 2023-10-27 CN disclosed
CN-115397411-A Pharmaceutical combination and use thereof 浙江养生堂天然药物研究所有限公司 2022-11-25 CN disclosed
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
EP-0706513-B1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEM FAB (DE) 2002-05-15 EP disclosed
US-5712298-A Fluoroalkoxy-substituted benzamides and their use as cyclic nucleotide phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-01-27 US disclosed
EP-0706513-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 EP disclosed
WO-1995001338-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 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-20240316015-A1 COMPOSITION AND METHOD FOR TREATING TUMORS PDE4B, PDE4A, PDE4C RAB9A 2882/4885NPC1 4322/4885POLB 449/4885

“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.