SCHEMBL4638583

SCHEMBL4638583

CCCCc1ccc(N)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 1.00
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
CYP4F11 Q9HBI6 1/20 0.47
CYP4F12 Q9HCS2 1/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
S100B P04271 1/20 0.44
CA2 P00918 2/20 0.43

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
SCHEMBL22604978 0.94 SKP2 (0.89) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL11869178 0.92 SKP2 (0.86) SKP2CYP3A4HPGDRAB9AALDH1A1
SCHEMBL3514830 0.90 SKP2 (0.81) SKP2CYP3A4CYP1A2MAPK1ALDH1A1
SCHEMBL28125839 0.88 SKP2 (0.78) SKP2CYP3A4MAPK1ALDH1A1TSHR
SCHEMBL7747145 0.88 SKP2 (0.78) SKP2CYP3A4NPC1RAB9AALDH1A1
SCHEMBL841783 0.85 SKP2 (0.73) SKP2CYP3A4CYP1A2MAPK1ALDH1A1
SCHEMBL31634603 0.85 SKP2 (0.73) SKP2CYP3A4CYP1A2MAPK1ALDH1A1
SCHEMBL23093003 0.84 SKP2 (0.72) SKP2CYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL3238669 0.84 SKP2 (0.72) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL7204931 0.83 SKP2 (0.71) SKP2CYP3A4HPGDNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021050547-A1 MITOCHONDRIAL COMPLEX I INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-03-18 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-2954896-A1 Small molecule inhibitors of the E3 Ligase Skp2 in depression and other diseases Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-12-16 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 EP disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 CN disclosed
EP-3307733-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2021-10-20 EP disclosed
EP-3307733-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2021-10-20 EP disclosed
US-7078400-B2 20-HETE synthase inhibitor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-07-18 US disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
EP-1226819-B1 INHIBITOR FOR 20-HETE-YIELDING ENZYME TAISHO PHARMACEUTICAL CO LTD (JP) 2006-01-18 EP disclosed
US-6864254-B1 Inhibitor for 20-hete-yielding enzyme TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-03-08 US disclosed
US-20040110830-A1 20-HETE synthase inhibitor TAISHO PHARMACEUTICAL CO., LTD. 2004-06-10 US disclosed
EP-1226819-A1 INHIBITOR FOR 20-HETE-YIELDING ENZYME TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-07-31 EP disclosed
US-4173645-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-11-06 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 (2 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-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC SKP2 1002/4885CYP3A4 3437/4885CYP2D6 3451/4885
US-20040110830-A1 20-HETE synthase inhibitor ALOX5, ALOX15, ALOX15B SKP2 2790/4885CYP3A4 347/4885CYP2D6 218/4885

“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.