SCHEMBL6818293

SCHEMBL6818293

C[Si](C)(C)C#Cc1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
ATM Q13315 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK9 P45984 2/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL30006592 1.00 CYP3A4 (0.42) CYP3A4ATMHTR3EHTR3BHTR3A
SCHEMBL28903834 0.89 ACACB (0.44) ATMALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL5046540 0.83 ACACB (0.48) GPR183
SCHEMBL4656696 0.81 CYP3A4 (0.45) CYP3A4ATMHTR3EHTR3BHTR3A
SCHEMBL24419876 0.79 BCL2L1 (0.38) CYP3A4ALDH1A1HSD17B10TDP1KDM4E
SCHEMBL23252170 0.76 CYP3A4 (0.46) CYP3A4ATMALDH1A1HSD17B10TDP1
SCHEMBL5046911 0.75 ACACB (0.53) CYP3A4ATMALDH1A1HSD17B10TDP1
SCHEMBL16329717 0.74 MEN1 (0.47) CYP3A4ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3671715 0.74 ATM (0.50) ATMALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL2156716 0.73 ALDH1A1 (0.50) CYP3A4ATMALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136580-A1 INDOLINONE DERIVATIVES AS INHIBITORS OF MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2025-05-01 US disclosed
CN-111808023-B Method for preparing 3-aryl isoquinoline derivative 四川大学 2022-10-21 CN disclosed
US-20210317107-A1 INDOLINONE DERIVATIVES AS INHIBITORS OF MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-10-14 US disclosed
US-10981896-B2 Indolinone derivatives as inhibitors of maternal embryonic leucine zipper kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-20 US disclosed
US-10981896-B2 Indolinone derivatives as inhibitors of maternal embryonic leucine zipper kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-20 US disclosed
CN-112566636-A Compound and use thereof 优曼尼蒂治疗公司 2021-03-26 CN disclosed
EP-3784234-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-03-03 EP disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
CN-111808023-A Novel method for preparing 3-arylisoquinoline derivative 四川大学 2020-10-23 CN disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 US disclosed
WO-2018160967-A1 INDOLINONE DERIVATIVES AS INHIBITORS OF MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-09-07 WO disclosed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 CYP3A4 1178/4885ATM 4365/4885HTR3E 661/4885
US-20210317107-A1 INDOLINONE DERIVATIVES AS INHIBITORS OF MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE MELK, HIPK1, HIPK3 CYP3A4 4805/4885ATM 662/4885HTR3E 505/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CYP3A4 1178/4885ATM 4365/4885HTR3E 661/4885
US-10981896-B2 Indolinone derivatives as inhibitors of maternal embryonic leucine zipper kinase MELK, HIPK1, HIPK3 CYP3A4 4783/4885ATM 694/4885HTR3E 611/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CYP3A4 632/4885ATM 2013/4885HTR3E 4519/4885
US-20250136580-A1 INDOLINONE DERIVATIVES AS INHIBITORS OF MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE MELK, HIPK1, HIPK3 CYP3A4 4805/4885ATM 662/4885HTR3E 505/4885

“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.