SCHEMBL4631433

SCHEMBL4631433

CC(C)c1ccc(-n2cccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NOTUM Q6P988 2/20 0.47
MGLL Q99685 1/20 0.47
VHL P40337 1/20 0.45
ELOC Q15369 1/20 0.45
ELOB Q15370 1/20 0.45
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
NSD2 O96028 1/20 0.39
GRK2 P25098 1/20 0.39

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
SCHEMBL14830835 0.82 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EGAANPSR1
SCHEMBL21388681 0.82 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EGAANPSR1
SCHEMBL14282014 0.80 MGLL (0.57) ALDH1A1L3MBTL1KDM4ENOTUMMGLL
Hydrochloric Acid SCHEMBL21378612 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EGAANPSR1
Hydrochloric Acid SCHEMBL21378613 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EGAANPSR1
SCHEMBL21745761 0.76 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EGAANPSR1
SCHEMBL12074648 0.76 MAPT (0.50) ALDH1A1L3MBTL1KDM4EGAANPSR1
SCHEMBL5603122 0.76 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EGAANPSR1
SCHEMBL13092772 0.76 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EGAANPSR1
SCHEMBL10022377 0.74 NOTUM (0.55) ALDH1A1L3MBTL1NPSR1NOTUMMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116965-A1 ORGANOMETALLIC COMPOUNDS UMICORE AG & CO. KG (DE) 2024-04-11 US disclosed
EP-4267591-A2 ORGANOMETALLIC COMPOUNDS Umicore AG & Co. KG (DE) 2023-11-01 EP disclosed
CN-116802187-A Organometallic compounds 优米科尔股份公司及两合公司 2023-09-22 CN disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
WO-2022136049-A2 ORGANOMETALLIC COMPOUNDS UMICORE AG & CO. KG (DE) 2022-06-30 WO disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 EP disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-09-21 US disclosed
EP-0699191-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORP (US) 1998-12-16 EP disclosed
WO-1998049162-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-05 WO disclosed
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP disclosed
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
US-5594021-A VASOCONSTRICTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-14 US disclosed
US-5591761-A Thiophenyl-, furyl-and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-07 US disclosed
US-5571821-A CARDIOVASCULAR DISORDERS TO MODULATE ENDOTHELIN, HYPOTENSIVE AGENTS AND VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-11-05 US disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed
EP-0699191-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-03-06 EP disclosed
WO-1994027979-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN IMMUNOPHARMACEUTICS, INC. (US) 1994-12-08 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 (6 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ALDH1A1 1598/4885L3MBTL1 914/4885KDM4E 1101/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 ALDH1A1 1598/4885L3MBTL1 914/4885KDM4E 1101/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ALDH1A1 1601/4885L3MBTL1 612/4885KDM4E 1086/4885
US-20240116965-A1 ORGANOMETALLIC COMPOUNDS DDT, PPOX, PDCD2L ALDH1A1 2120/4885L3MBTL1 3654/4885KDM4E 1447/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 ALDH1A1 1598/4885L3MBTL1 914/4885KDM4E 1101/4885
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 ALDH1A1 313/4885L3MBTL1 2029/4885KDM4E 116/4885

“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.