SCHEMBL4174121

SCHEMBL4174121

CC(C)OC(=O)Nc1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
NPC1 O15118 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
KDM4E B2RXH2 2/20 0.54
MDM2 Q00987 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALOX15 P16050 1/20 0.53
ROCK2 O75116 4/20 0.51
ROCK1 Q13464 4/20 0.51
LMNA P02545 3/20 0.51
BCHE P06276 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.49

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
SCHEMBL15143918 0.86 SMN1; SMN2 (0.79) HPGDNPC1CYP1A2CYP2D6CYP2C9
Propham SCHEMBL67344 0.81 SMN1; SMN2 (0.66) HPGDNPC1CYP1A2CYP2D6CYP2C9
Propham SCHEMBL8536412 0.81 SMN1; SMN2 (0.66) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL1616693 0.80 MDM2 (0.61) HPGDSMN1; SMN2KDM4EMDM2L3MBTL1
SCHEMBL967222 0.80 RAB9A (0.58) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10192163 0.79 NPC1 (0.69) HPGDNPC1CYP1A2CYP2D6CYP2C9
Propham SCHEMBL28077800 0.79 SMN1; SMN2 (0.64) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL2637743 0.78 HPGD (0.61) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL9335595 0.78 HPGD (0.67) HPGDNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL2188393 0.78 SMN1; SMN2 (0.67) HPGDNPC1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230058178-A1 METHODS AND MATERIALS FOR TREATING NERVE INJURY AND/OR PROMOTING WOUND HEALING UNITED STATES GOVERNMENT 2023-02-23 US claimed
WO-2021150773-A1 METHODS AND MATERIALS FOR TREATING NERVE INJURY AND/OR PROMOTING WOUND HEALING THE PENN STATE RESEARCH FOUNDATION (US) 2021-07-29 WO claimed
CN-103209695-A Azabenzothiazole compounds, compositions and methods of use HOFFMANN LA ROCHE 2013-07-17 CN claimed
CN-1745064-A Pyridines for the treatment of damaged mammalian neural tissue PURDUE RESEARCH FOUNDATION (US) 2006-03-08 CN claimed
WO-2024151969-A1 POTASSIUM CHANNEL BLOCKERS OR DERIVATIVES THEREOF FOR PREVENTING, ALLEVIATING, AND/OR TREATING MORBIDITY AND MORTALITY INDUCED BY PATHOGENS OR OTHER INDUCERS OF IMMUNE EXHAUSTION AND/OR EXCESS IMMUNE ACTIVATION UNIVERSITY OF ROCHESTER (US) 2024-07-18 WO disclosed
EP-3355925-B1 TREATMENT OF ACUTE TRAUMATIC INJURY UNIV ROCHESTER (US) 2024-02-28 EP disclosed
US-20240058312-A1 METHODS AND MATERIALS FOR TREATING BONE LOSS THE PENN STATE RESEARCH FOUNDATION 2024-02-22 US disclosed
US-20240024216-A1 METHODS AND MATERIALS FOR TREATING HAIR LOSS THE PENN STATE RESEARCH FOUNDATION 2024-01-25 US disclosed
WO-2024011220-A1 POTASSIUM CHANNEL BLOCKERS OR DERIVATIVES THEREOF FOR PREVENTING, ALLEVIATING, AND/OR TREATING TISSUE DYSFUNCTION CAUSED BY TOXIC INSULTS UNIVERSITY OF ROCHESTER (US) 2024-01-11 WO disclosed
EP-4274546-A1 METHODS AND MATERIALS FOR TREATING HAIR LOSS THE PENN STATE RESEARCH FOUNDATION (US) 2023-11-15 EP disclosed
EP-4274551-A1 METHODS AND MATERIALS FOR TREATING BONE LOSS THE PENN STATE RESEARCH FOUNDATION (US) 2023-11-15 EP disclosed
US-20230346758-A1 4-AMINOPYRIDINE (4-AP) AND BONE MORPHOGENETIC PROTEIN 2 (BMP-2) THE PENN STATE RESEARCH FOUNDATION 2023-11-02 US disclosed
US-8299051-B2 Beta-lactamase inhibitory compounds SOUTHERN METHODIST UNIVERSITY (US) 2012-10-30 US disclosed
US-8097638-B2 Pyridines for treating injured mammalian nerve tissue PURDUE RESEARCH FOUNDATION (US) 2012-01-17 US disclosed
US-20100009954-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS SOUTHERN METHODIST UNIVERSITY 2010-01-14 US disclosed
US-20100009954-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS SOUTHERN METHODIST UNIVERSITY 2010-01-14 US disclosed
EP-1567497-B1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2009-09-23 EP disclosed
US-20090118295-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC (US) 2009-05-07 US disclosed
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE PURDUE RESEARCH FOUNDATION (US) 2008-02-14 US disclosed
CN-1745064-A Pyridines for the treatment of damaged mammalian neural tissue PURDUE RESEARCH FOUNDATION (US) 2006-03-08 CN 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 (6 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-20230346758-A1 4-AMINOPYRIDINE (4-AP) AND BONE MORPHOGENETIC PROTEIN 2 (BMP-2) BMP4, BMP2, BMP1 HPGD 2101/4885NPC1 4252/4885CYP1A2 4107/4885
US-20240058312-A1 METHODS AND MATERIALS FOR TREATING BONE LOSS BMP4, ACP3, COL2A1 HPGD 839/4885NPC1 3354/4885CYP1A2 4428/4885
US-20080039490-A1 PYRIDINES FOR TREATING INJURED MAMMALIAN NERVE TISSUE P2RY4, INA, PMP22 HPGD 1256/4885NPC1 4768/4885CYP1A2 2426/4885
US-20240024216-A1 METHODS AND MATERIALS FOR TREATING HAIR LOSS BMP4, S100A4, S100B HPGD 502/4885NPC1 4300/4885CYP1A2 3497/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 HPGD 4257/4885NPC1 1763/4885CYP1A2 509/4885
US-20100009954-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS MGAM, GUSB, LCT HPGD 376/4885NPC1 3009/4885CYP1A2 878/4885

“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.