SCHEMBL4745686

SCHEMBL4745686

O=C(c1ccc(I)cc1F)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 2/20 0.56
CNR1 P21554 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAP2K2 P36507 2/20 0.50
MAP2K1 Q02750 2/20 0.50
CPS1 P31327 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 2/20 0.47
AKR1C3 P42330 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
PHGDH O43175 1/20 0.46

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
SCHEMBL1438540 0.88 MAPT (0.57) MAPTTSHREPHX2CNR1MAP2K2
SCHEMBL17400787 0.86 MAP2K2 (0.60) TSHRCNR1MEN1KMT2AMAP2K2
SCHEMBL24340082 0.83 HSP90AA1 (0.57) MAPTTSHRKDM4EHTTAKR1C3
SCHEMBL968813 0.82 MAPT (0.57) MAPTTSHREPHX2CNR1MEN1
SCHEMBL7872429 0.82 MAPT (0.57) MAPTTSHREPHX2CNR1MEN1
SCHEMBL17400772 0.82 CPS1 (0.56) MAPTTSHREPHX2MAP2K2MAP2K1
SCHEMBL29897652 0.82 MAPT (0.57) MAPTTSHREPHX2CNR1MEN1
SCHEMBL3093965 0.82 MAPT (0.57) MAPTTSHREPHX2CNR1MEN1
SCHEMBL20460459 0.82 HPGD (0.55) MAPTTSHRCNR1KDM4EHTT
SCHEMBL3901381 0.82 KDM4E (0.49) MAPTTSHRMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022048684-A1 JNK INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉朗来科技发展有限公司 2022-03-10 WO disclosed
EP-3660016-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2020-06-03 EP disclosed
US-10550073-B2 Benzamide derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-02-04 US disclosed
EP-2655374-B1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2019-10-23 EP disclosed
EP-3357916-A1 BENZAMIDE DERIVATIVE CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2018-08-08 EP disclosed
WO-2008110566-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-09-18 WO disclosed
WO-2008110566-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-09-18 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-10550073-B2 Benzamide derivative CYP3A5, ABCB1, CYP2D6 MAPT 2121/4885TSHR 1522/4885EPHX2 1796/4885

“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.