Sugi Predict

Sugi Predict / Compounds / SCHEMBL2450853

SCHEMBL2450853

SCHEMBL2450853

O=C(O)CNc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ NAMPT P43490 2/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ NAPRT Q6XQN6 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ NOTUM Q6P988 2/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 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
SCHEMBL30402824 1.00 NPC1 (0.56) NPC1PKMRAB9ANAMPTALDH1A1
Hydrochloric Acid SCHEMBL3571748 1.00 NPC1 (0.56) NPC1PKMRAB9ANAMPTALDH1A1
Bromide SCHEMBL10884497 0.98 NPC1 (0.54) NPC1PKMRAB9ANAMPTALDH1A1
SCHEMBL11487834 0.87 RAB9A (0.53) NPC1PKMRAB9ANAMPTALDH1A1
SCHEMBL4572898 0.84 RAB9A (0.50) NPC1PKMRAB9ANAMPTALDH1A1
SCHEMBL13212361 0.84 NOTUM (0.51) NPC1PKMRAB9ANAMPTALDH1A1
Hydrochloric Acid SCHEMBL27795225 0.82 RAB9A (0.51) NPC1PKMRAB9ANAMPTALDH1A1
SCHEMBL3208241 0.82 NPC1 (0.53) NPC1PKMRAB9ANAMPTALDH1A1
SCHEMBL5691151 0.82 MKNK1 (0.57) NPC1RAB9ANAMPTALDH1A1LMNA
SCHEMBL12655115 0.81 MAPK1 (0.50) NPC1PKMRAB9ANAMPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051363-A1 Substituted Pyrazolopyridines NEURO3 THERAPEUTICS INC (US) 2025-02-13 — — US disclosed
WO-2025029897-A1 SUBSTITUTED PYRAZOLOPYRIDINES NEURO3 THERAPEUTICS, INC. (US) 2025-02-06 — — WO disclosed
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 — — US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 — — US disclosed
EP-3194359-B1 BORON-CONTAINING DIACYLHYDRAZINE COMPOUNDS INTREXON CORP (US) 2020-04-08 — — EP disclosed
US-10570158-B2 Boron-containing diacylhydrazine compounds INTREXON CORPORATION (US) 2020-02-25 — — US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 — — US disclosed
US-20180201628-A1 Boron-Containing Diacylhydrazine Compounds INTREXON CORP (US) 2018-07-19 — — US disclosed
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 — — EP disclosed
US-9944659-B2 Boron-containing diacylhydrazine compounds INTREXON CORPORATION (US) 2018-04-17 — — US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 — — US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 — — US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 — — US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 — — US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 — — US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 — — EP disclosed
US-4684642-A BACTERICIDES PFIZER INC. (US) 1987-08-04 — — US disclosed
EP-0187130-A2 Process for producing N-substituted alpha-amino acids Monsanto Company (US) 1986-07-09 — — EP disclosed
EP-0061768-B1 N-AMIDO SUBSTITUTED DIPEPTIDES USV PHARMACEUTICAL CORPORATION (US) 1986-05-14 — — EP disclosed
US-4088816-A BACTERICIDES E. R. SQUIBB & SONS, INC. (US) 1978-05-09 — — 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 (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-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR NPC1 2576/4885PKM 4563/4885RAB9A 2194/4885
US-20250051363-A1 Substituted Pyrazolopyridines QDPR, DPYD, P2RX4 NPC1 1633/4885PKM 977/4885RAB9A 1876/4885
US-20180201628-A1 Boron-Containing Diacylhydrazine Compounds BRDT, CD22, BCR NPC1 2388/4885PKM 4561/4885RAB9A 2417/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR NPC1 2576/4885PKM 4563/4885RAB9A 2194/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR NPC1 2576/4885PKM 4563/4885RAB9A 2194/4885
US-10570158-B2 Boron-containing diacylhydrazine compounds BRDT, CD22, BCR NPC1 2388/4885PKM 4561/4885RAB9A 2417/4885

“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.