Sugi Predict

Sugi Predict / Compounds / SCHEMBL7541402

SCHEMBL7541402

SCHEMBL7541402

C=CN(C)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ACHE P22303 3/20 0.44
▸ HSD17B1 P14061 5/20 0.42
▸ HSD17B2 P37059 5/20 0.42
▸ SIGMAR1 Q99720 2/20 0.41
▸ NPC1 O15118 2/20 0.38
▸ CASP3 P42574 2/20 0.38
▸ SENP8 Q96LD8 2/20 0.38
▸ SENP7 Q9BQF6 2/20 0.38
▸ SENP6 Q9GZR1 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ EGFR P00533 2/20 0.37
▸ CSF1R P07333 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NR1I2 O75469 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
SCHEMBL25077933 0.80 TDP1 (0.40) TDP1TP53ACHEHSD17B1HSD17B2
SCHEMBL2095103 0.79 HSD17B1 (0.46) TDP1TP53ACHEHSD17B1HSD17B2
SCHEMBL2584789 0.79 ACHE (0.44) TDP1TP53ACHEHSD17B1HSD17B2
SCHEMBL14883479 0.78 HSD17B1 (0.45) TDP1TP53ACHEHSD17B1HSD17B2
SCHEMBL24406106 0.76 HSD17B1 (0.44) TDP1TP53ACHEHSD17B1HSD17B2
SCHEMBL29381010 0.75 ALDH1A1 (0.56) TDP1ACHEHSD17B1HSD17B2SIGMAR1
SCHEMBL1697445 0.75 ACHE (0.55) TDP1ACHEHSD17B1HSD17B2SIGMAR1
SCHEMBL12879 0.75 ALDH1A1 (0.56) TDP1ACHEHSD17B1HSD17B2SIGMAR1
SCHEMBL3293248 0.75 MEN1 (0.42) TDP1MEN1RAB9AKMT2AMAPK1
SCHEMBL16994795 0.73 HSD17B1 (0.42) TDP1TP53ACHEHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR (CN) 2023-05-25 — — US disclosed
US-20020091254-A1 Stabilizing and/or lowering the color number of alkenyl compounds BASF AKTIENGESELLSCHAFT (DE) 2002-07-11 — — US disclosed
US-6384216-B1 CARRYING OUT TWO DISTILLATIONS IN WHICH THE PURIFIED ALKENYL COMPOUNDS OBTAINED FROM GAS PHASE BY CONDENSATION, WHERE THE TIME BETWEEN FIRST DISTILLATION AFTER SYNTHESIS OF ALKENYL COMPOUNDS AND FURTHER DISTILLATION BASF AKTIENGESELLSCHAFT (DE) 2002-05-07 — — US disclosed
US-20020038059-A1 PURIFICATION OF ALKENYL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-03-28 — — 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 (3 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-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR WEE1, WEE2, PEAK1 TDP1 951/4885TP53 337/4885ACHE 4859/4885
US-20020091254-A1 Stabilizing and/or lowering the color number of alkenyl compounds SOD1, NOX4, CAT TDP1 3145/4885TP53 1696/4885ACHE 1814/4885
US-20020038059-A1 PURIFICATION OF ALKENYL COMPOUNDS TPR, AGPAT5, PCNA TDP1 1310/4885TP53 944/4885ACHE 1407/4885

“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.