SCHEMBL3969958

SCHEMBL3969958

O=Cc1cccnc1Sc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
NFE2L2 Q16236 1/20 0.40
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
PPP1CA P62136 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
SCHEMBL1466714 0.85 ALDH1A1 (0.48) ALDH1A1TRIM24TRIM33CYP3A4CYP2C9
SCHEMBL5553590 0.84 ALDH1A1 (0.67) ALDH1A1TRIM24TRIM33CYP3A4CYP2C9
SCHEMBL1465884 0.84 ALDH1A1 (0.59) ALDH1A1TRIM24TRIM33CYP3A4CYP2C9
SCHEMBL6766311 0.84 TRIM24 (0.51) ALDH1A1TRIM24TRIM33CYP3A4CYP2C9
SCHEMBL21609586 0.75 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL31395309 0.75 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL1466237 0.73 MEN1 (0.43) ALDH1A1TRIM24TRIM33HPGDKMT2A
SCHEMBL27881516 0.72 MEN1 (0.74) ALDH1A1CYP2C9CYP2C19KDM4ECYP1A2
SCHEMBL1255150 0.72 TRIM24 (0.52) ALDH1A1TRIM24TRIM33KDM4EHPGD
SCHEMBL3719104 0.71 POLB (0.48) ALDH1A1TRIM24TRIM33CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108341799-B Novel indole derivatives for the treatment of cancer, viral infections and lung diseases 生物控制术公司 2022-01-25 CN disclosed
US-10851054-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2020-12-01 US disclosed
US-20190169124-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES DIACCURATE (FR) 2019-06-06 US disclosed
US-10189782-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2019-01-29 US disclosed
CN-108341799-A For treating cancer, the novel indole derivative of virus infection and tuberculosis 生物控制术公司 2018-07-31 CN disclosed
CN-104854088-B Novel indole derivatives for the treatment of cancer, viral infections and lung diseases 生物控制术公司 2018-02-16 CN disclosed
US-20170233342-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES DIACCURATE (FR) 2017-08-17 US disclosed
US-9643923-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases BIOKINESIS (FR) 2017-05-09 US disclosed
US-20150307450-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-10-29 US disclosed
CN-104854088-A Novel indole derivatives for the treatment of cancer, viral infections and lung diseases BIOKINESIS 2015-08-19 CN disclosed
WO-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 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 (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-20190169124-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES IDO2, IDO1, ING2 ALDH1A1 2891/4885TRIM24 258/4885TRIM33 685/4885
US-20150307450-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES IDO2, IDO1, ING2 ALDH1A1 2891/4885TRIM24 258/4885TRIM33 685/4885
US-10189782-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases IDO2, IDO1, ING2 ALDH1A1 2533/4885TRIM24 201/4885TRIM33 542/4885
US-20170233342-A1 NEW DERIVATIVES OF INDOLE FOR THE TREATMENT OF CANCER, VIRAL INFECTIONS AND LUNG DISEASES IDO2, IDO1, ING2 ALDH1A1 2891/4885TRIM24 258/4885TRIM33 685/4885
US-10851054-B2 Derivatives of indole for the treatment of cancer, viral infections and lung diseases IDO2, IDO1, ING2 ALDH1A1 2533/4885TRIM24 201/4885TRIM33 542/4885

“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.