SCHEMBL4675674

SCHEMBL4675674

CC(C)(C)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
NPC1 O15118 6/20 0.64
ALDH1A1 P00352 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
HTT P42858 4/20 0.64
PAX8 Q06710 3/20 0.64
S1PR4 O95977 3/20 0.64
MAPT P10636 3/20 0.64
S1PR1 P21453 3/20 0.64
KMT2A Q03164 2/20 0.64
MITF O75030 1/20 0.64
THRB P10828 1/20 0.64
XBP1 P17861 1/20 0.64
NPBWR1 P48145 6/20 0.62
MCHR1 Q99705 4/20 0.62
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
HPGD P15428 1/20 0.48

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
SCHEMBL23575049 0.86 NPBWR1 (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL4175570 0.84 RAB9A (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL4648855 0.82 RAB9A (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL4672474 0.82 RAB9A (0.74) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL4670658 0.79 RAB9A (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL9768416 0.79 RAB9A (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL24303253 0.79 NPC1 (0.70) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL1461789 0.78 RAB9A (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL11728795 0.78 SMN1; SMN2 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL31735886 0.77 RAB9A (0.72) RAB9ANPC1ALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 US disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 US disclosed
EP-1497269-B1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2008-04-23 EP disclosed
US-7320977-B2 Fibrotic disorders; disorders characterized by harmful buildup of collagen and/or by excessive lysyl oxidase enzymatic activity BAYER HEALTHCARE AG (DE) 2008-01-22 US disclosed
US-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-05 US disclosed
EP-1497269-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES Bayer HealthCare AG (DE) 2005-01-19 EP disclosed
WO-2003097612-A1 SUBSTITUTED 2-PHENYL-3(2H)-PYRIDAZINONES BAYER HEALTHCARE AG (DE) 2003-11-27 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 (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-20060004015-A1 Substituted 2-phenyl-3(2h)-pyridazinones PIR, TPMT, PNPO RAB9A 4468/4885NPC1 599/4885ALDH1A1 655/4885
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC RAB9A 2372/4885NPC1 1905/4885ALDH1A1 2364/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC RAB9A 2372/4885NPC1 1905/4885ALDH1A1 2364/4885

“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.