SCHEMBL291450

SCHEMBL291450

C[CH]c1nc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
NPC1 O15118 10/20 0.59
RAB9A P51151 10/20 0.59
KDM4E B2RXH2 7/20 0.59
SMN1; SMN2 Q16637 7/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
HPGD P15428 6/20 0.59
PKM P14618 4/20 0.59
HSP90AA1 P07900 1/20 0.59
MAPT P10636 5/20 0.57
TP53 P04637 2/20 0.57
NPSR1 Q6W5P4 3/20 0.54
ABCB11 O95342 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 4/20 0.53
GAA P10253 4/20 0.53
HTT P42858 4/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53

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
SCHEMBL28820772 0.84 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL29881928 0.84 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL19119423 0.83 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL29539476 0.83 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1086983 0.83 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1086985 0.83 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6717024 0.80 DDAH1 (0.56) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL18422383 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7398588 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3081168 0.79 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465889-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2017-03-22 EP claimed
EP-2734516-B1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INT (DE) 2015-06-17 EP claimed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP claimed
WO-2011008247-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-01-20 WO claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
CN-118251218-A Combination therapy for treating cancer using PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-06-25 CN disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-11890296-B2 Anti-tumor agent containing cytarabine, anti- tumor effect enhancing agent which is used in combination with cytarabine, anti-tumor kit, and anti-tumor agent which is used in combination with cytarabine FUJIFILM CORPORATION (JP) 2024-02-06 US disclosed
CN-117355503-A Prodrugs of KV7 channel openers 艾可斯外扎根股份有限公司 2024-01-05 CN disclosed
CN-112004816-B PRC2 inhibitors 米拉蒂医疗股份有限公司 2024-01-05 CN disclosed
CN-117321031-A Prodrugs of KV7 channel openers 艾可斯外扎根股份有限公司 2023-12-29 CN disclosed
CN-117295711-A Prodrugs of KV7 channel openers 艾可斯外扎根股份有限公司 2023-12-26 CN disclosed
US-4960880-A STEREOSPECIFIC SYNTHESIS OF B-LACTAM INTERMEDIATES SHIONOGI & CO., LTD. (JP) 1990-10-02 US disclosed
US-4960879-A REACTING SUBSTITUTED AZETIDINONE WITH TRANS SUBSTITUTED-METHYL ALKYLACRYLIC ACID AND REDUCING METAL SHIONOGI & CO., LTD. (JP) 1990-10-02 US disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 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 (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-11890296-B2 Anti-tumor agent containing cytarabine, anti- tumor effect enhancing agent which is used in combination with cytarabine, anti-tumor kit, and anti-tumor agent which is used in combination with cytarabine DHODH, DPYD, DCTD ALDH1A1 412/4885NPC1 3086/4885RAB9A 3001/4885

“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.