SCHEMBL5230905

SCHEMBL5230905

Cc1ccccc1C(=O)NC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
DHODH Q02127 1/20 0.50
POLB P06746 1/20 0.50
TYK2 P29597 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABCB1 P08183 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL6748722 0.87 MAPT (0.61) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6901999 0.85 MEN1 (0.51) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12302089 0.83 HPGD (0.56) HPGDMEN1KMT2ASMN1; SMN2POLB
SCHEMBL1019188 0.82 KAT6A (0.51) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6746948 0.82 KMT2A (0.49) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12818997 0.82 MAPT (0.49) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11544239 0.81 HPGD (0.50) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29082358 0.80 MEN1 (0.51) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16870481 0.80 MAPT (0.48) HPGDMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14357551 0.80 ALDH1A1 (0.56) HPGDMEN1KMT2AMAPTSMN1; 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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362190-A Preparation method of polysubstituted olefin 广东工业大学 2024-01-09 CN disclosed
CN-112521560-B Efficient salt-resistant one-dose dual-purpose thickening agent and preparation method and application thereof 西安长庆化工集团有限公司 2023-05-30 CN disclosed
US-10646850-B2 Material for blood purification TORAY INDUSTRIES, INC. (JP) 2020-05-12 US disclosed
US-20190184371-A1 MATERIAL FOR BLOOD PURIFICATION TORAY INDUSTRIES, INC. (JP) 2019-06-20 US disclosed
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 Theraprutics, Inc. (US) 2019-03-14 US disclosed
US-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY FIVE ELEVEN PHARMA INC. 2017-07-06 US disclosed
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
EP-1340744-B1 Hiv protease inhibitors AGOURON PHARMA (US) 2007-05-23 EP disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
EP-0652009-A1 Identification and use of protease inhibitors ELI LILLY AND COMPANY (US) 1995-05-10 EP disclosed
WO-1995009843-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-04-13 WO disclosed
EP-0609625-A1 Inhibitors of HIV protease useful for the treatment of AIDS ELI LILLY AND COMPANY (US) 1994-08-10 EP disclosed
WO-1994015906-A1 HIV PROTEASE INHIBITORS AND THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 1994-07-21 WO disclosed
WO-1994015608-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1994-07-21 WO disclosed
EP-0604184-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed
EP-0604186-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed
EP-0604182-A2 Inhibitors of HIV protease useful for the treatment of Aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed
EP-0604183-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed
EP-0526009-A1 Inhibitors of hiv protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1993-02-03 EP 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-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY KLK3, FOLH1, UTS2R HPGD 2565/4885MEN1 411/4885KMT2A 3241/4885
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION GCGR, STUB1, GID4 HPGD 3453/4885MEN1 213/4885KMT2A 2669/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN HPGD 449/4885MEN1 3743/4885KMT2A 2442/4885

“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.