SCHEMBL3835523

SCHEMBL3835523

Cc1cc(Br)cc(I)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.37
DHODH Q02127 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NOTUM Q6P988 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
HTT P42858 1/20 0.35
PTGS2 P35354 2/20 0.35
TPMT P51580 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 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
SCHEMBL596184 0.85 CYP3A4 (0.50) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL3839260 0.79 CYP3A4 (0.47) CYP3A4ACHEALDH1A1MAPTNOTUM
SCHEMBL10596884 0.79 KDM4E (0.47) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL21783817 0.79 CYP3A4 (0.45) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL25329987 0.78 CYP3A4 (0.64) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL22532419 0.77 PTPN1 (0.35) ALDH1A1MAPK1SMN1; SMN2MAPTRXFP1
SCHEMBL1868008 0.76 ALDH1A1 (0.48) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL1727042 0.76 CYP3A4 (0.42) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL22060772 0.76 CYP3A4 (0.42) CYP3A4ACHEALDH1A1MAPK1SMN1; SMN2
SCHEMBL31392335 0.76 AKR1C3 (0.38) ALDH1A1MAPK1SMN1; SMN2DHODHTPMT

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3952870-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO LTD (CN) 2025-09-24 EP disclosed
US-20240408088-A1 PYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-12-12 US disclosed
CN-114258393-B Heterocyclic compounds having dual inhibitory activity of phosphatidylinositol 3-kinase delta and gamma and medical uses thereof 中国医药研究开发中心有限公司 2024-11-22 CN disclosed
EP-4442680-A1 PYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE Abbisko Therapeutics Co., Ltd. (CN) 2024-10-09 EP disclosed
CN-117730075-A Pyrazole derivative, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2024-03-19 CN disclosed
EP-4291235-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2023-12-20 EP disclosed
CN-117120090-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2023-11-24 CN disclosed
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-07-20 US disclosed
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-07-20 US disclosed
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-07-20 US disclosed
WO-2020210379-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS HANGZHOU ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2020-10-15 WO disclosed
US-20190152988-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (JP) 2019-05-23 US disclosed
US-10112955-B2 Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2 EFFECTOR THERAPEUTICS, INC. (US) 2018-10-30 US disclosed
EP-3368530-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 Effector Therapeutics Inc. (US) 2018-09-05 EP disclosed
US-20170121346-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-05-04 US disclosed
US-20170121346-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-05-04 US disclosed
US-20170121346-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-05-04 US disclosed
WO-2017075394-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2017-05-04 WO disclosed
WO-2017075394-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2017-05-04 WO disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 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 (5 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-20240408088-A1 PYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE PRMT5, PRMT1, PRMT8 CYP3A4 125/4885ACHE 2043/4885ALDH1A1 3287/4885
US-10112955-B2 Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2 NEK9, NEK2, NEK3 CYP3A4 2201/4885ACHE 2044/4885ALDH1A1 2954/4885
US-20190152988-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 NEK9, NEK2, NEK3 CYP3A4 2201/4885ACHE 2044/4885ALDH1A1 2954/4885
US-20170121346-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 NEK9, NEK2, NEK3 CYP3A4 2201/4885ACHE 2044/4885ALDH1A1 2954/4885
US-20230227446-A9 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KB, PI4KA, PIK3CD CYP3A4 3701/4885ACHE 4765/4885ALDH1A1 3189/4885

“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.