SCHEMBL17145459

SCHEMBL17145459

CC(=O)c1cccc2nc(Cl)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
P2RX7 Q99572 3/20 0.44
MAPT P10636 6/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDE4B Q07343 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL29375452 1.00 AHR (0.50) AHRKDM4EHTTUSP2GAA
SCHEMBL12701071 0.86 NR4A1 (0.50) KDM4EHTTUSP2GAAMEN1
SCHEMBL14898537 0.84 P2RX7 (0.48) AHRKDM4EHTTUSP2GAA
SCHEMBL28227760 0.83 ALDH1A1 (0.46) KDM4EHTTUSP2GAAMEN1
SCHEMBL17433767 0.83 BACE1 (0.51) GAAKMT2AMAPTPOLBTP53
SCHEMBL29364387 0.82 KDM4E (0.68) KDM4EHTTUSP2GAAMEN1
SCHEMBL10263150 0.82 KDM4E (0.68) KDM4EHTTUSP2GAAMEN1
SCHEMBL17433840 0.82 MEN1 (0.46) KDM4EHTTUSP2GAAMEN1
SCHEMBL14113741 0.81 ALDH1A1 (0.50) KDM4EMEN1KMT2ACYP1A2MAPT
SCHEMBL13209738 0.79 KDM4E (0.69) AHRKDM4EHTTUSP2GAA

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
EP-3708568-B1 COMPOUND CAPABLE OF INHIBITING PHOSPHODIESTERASE 4, PREPARATION METHOD, AND MEDICAL USE THEREOF HEFEI INDUSTRIAL PHARMACEUTICAL INST CO LTD (CN) 2022-02-09 EP disclosed
US-11161860-B2 Compound having effects of inhibiting phosphodiesterase 4, preparation method thereof and pharmaceutical use thereof Hefei Industrial Pharmaceutical Institute Co., Ltd (CN) 2021-11-02 US disclosed
US-20210179640-A1 COMPOUND HAVING EFFECTS OF INHIBITING PHOSPHODIESTERASE 4, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF HEFEI INDUSTRIAL PHARMACEUTICAL INSTITUTE CO., LTD. (CN) 2021-06-17 US disclosed
EP-3708568-A1 COMPOUND CAPABLE OF INHIBITING PHOSPHODIESTERASE 4, PREPARATION METHOD, AND MEDICAL USE THEREOF Hefei Industrial Pharmaceutical Institute Co., Ltd (CN) 2020-09-16 EP disclosed
CN-108148085-B With compound, preparation method and its medicinal usage for inhibiting phosphodiesterase 4 Hefei Medical and Pharmaceutical Co., Ltd. (CN) 2019-11-01 CN disclosed
CN-108148085-A With compound, preparation method and its medicinal usage for inhibiting phosphodiesterase 4 合肥医工医药有限公司 2018-06-12 CN disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 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 (3 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-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 AHR 867/4885KDM4E 3613/4885HTT 4690/4885
US-20210179640-A1 COMPOUND HAVING EFFECTS OF INHIBITING PHOSPHODIESTERASE 4, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF PDE4A, PDE3B, PDE4B AHR 2893/4885KDM4E 652/4885HTT 4596/4885
US-11161860-B2 Compound having effects of inhibiting phosphodiesterase 4, preparation method thereof and pharmaceutical use thereof PDE4A, PDE3B, PDE4B AHR 2893/4885KDM4E 652/4885HTT 4596/4885

“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.