Sugi Predict

Sugi Predict / Compounds / SCHEMBL2393434

SCHEMBL2393434

SCHEMBL2393434

CN(C(=O)C(F)(F)F)c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NOTUM Q6P988 1/20 0.40
▸ MLYCD O95822 4/20 0.39
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GFER P55789 1/20 0.36

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
SCHEMBL21477233 0.84 MAPT (0.46) ALDH1A1MAPK1ALOX15MAPTSMN1; SMN2
SCHEMBL26343929 0.82 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2NOTUMMLYCD
SCHEMBL12203987 0.82 SMN1; SMN2 (0.46) ALDH1A1MAPTSMN1; SMN2NOTUMMLYCD
SCHEMBL1312005 0.81 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2NOTUMMLYCD
SCHEMBL2058785 0.81 MAPT (0.44) ALDH1A1MAPK1ALOX15MAPTSMN1; SMN2
SCHEMBL5186719 0.81 ALDH1A1 (0.45) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL6555780 0.81 MAPT (0.44) ALDH1A1MAPTSMN1; SMN2NOTUMMLYCD
SCHEMBL4746141 0.80 KMT2A (0.51) ALDH1A1CYP3A4SMN1; SMN2MLYCDNR1H2
SCHEMBL9790442 0.79 NPC1 (0.47) ALDH1A1TP53ALOX15MAPTSMN1; SMN2
SCHEMBL4142538 0.79 SMN1; SMN2 (0.45) ALDH1A1MAPK1MAPTSMN1; SMN2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 — — US disclosed
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 — — US disclosed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 — — EP disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 — — CN disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 — — CN disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — WO disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 — — WO disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 — — WO disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 — — US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 — — US disclosed
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 — — US disclosed
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 — — US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 — — US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 — — US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 — — US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 — — US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 — — US disclosed
WO-2008152013-A1 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 — — WO disclosed
US-4163015-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1979-07-31 — — US disclosed
US-4138405-A BACTERICIDES STERLING DRUG INC. (US) 1979-02-06 — — 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 (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-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 ALDH1A1 243/4885CYP3A4 395/4885MAPK1 823/4885
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 ALDH1A1 3726/4885CYP3A4 229/4885MAPK1 1776/4885
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 ALDH1A1 1441/4885CYP3A4 3990/4885MAPK1 2778/4885
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 ALDH1A1 1306/4885CYP3A4 3346/4885MAPK1 2630/4885
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 ALDH1A1 243/4885CYP3A4 395/4885MAPK1 823/4885

“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.