SCHEMBL5749644

SCHEMBL5749644

O=C(c1ncc2cccnc2c1O)N1CCC(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCD5 Q86SK9 4/20 0.48
▸ RAB9A P51151 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ ATM Q13315 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ SPR P35270 2/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ SCD O00767 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PROKR1 Q8TCW9 2/20 0.43
▸ HPGD P15428 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ APLNR P35414 1/20 0.42

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
SCHEMBL2143922 0.83 ALDH1A1 (0.52) SCD5RAB9ANPC1ATMSMN1; SMN2
SCHEMBL5747403 0.81 HSD11B1 (0.44) SCD5NPC1SMN1; SMN2MAPTFEN1
SCHEMBL2143792 0.76 ALDH1A1 (0.54) SCD5SPRSCDALDH1A1
SCHEMBL20820350 0.74 PROKR1 (0.53) SCD5MAPTKDM4CTP53ALDH1A1
SCHEMBL16735634 0.74 KDM4C (0.54) SCD5RAB9ANPC1ATMSMN1; SMN2
SCHEMBL31304869 0.71 FEN1 (0.60) MAPTFEN1KDM4CALDH1A1
SCHEMBL968338 0.71 FEN1 (0.60) MAPTFEN1KDM4CALDH1A1
SCHEMBL22639994 0.71 SCD5 (0.60) SCD5RAB9ANPC1ATMSMN1; SMN2
SCHEMBL22640181 0.71 SCD5 (0.60) SCD5RAB9ANPC1ATMSMN1; SMN2
SCHEMBL12447335 0.71 RAB9A (0.72) SCD5RAB9ANPC1ATMSMN1; 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326610-B1 AZA-AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2006-11-15 — — EP claimed
US-6841558-B2 Aza-and polyaza-naphthalenyl carboxamides useful as HIV intergrase inhibitors MERCK & CO., INC. (US) 2005-01-11 — — US claimed
US-20040044207-A1 Aza-and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. 2004-03-04 — — US claimed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 — — US disclosed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 — — US disclosed
US-20150174117-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. 2015-06-25 — — US disclosed
US-20150174117-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. 2015-06-25 — — US disclosed
US-20140364389-A1 Combination Therapy JAPAN TOBACCO INC. (JP) 2014-12-11 — — US disclosed
US-20140364389-A1 Combination Therapy JAPAN TOBACCO INC. (JP) 2014-12-11 — — US disclosed
US-8633219-B2 Combination therapy JAPAN TOBACCO INC. (JP) 2014-01-21 — — US disclosed
US-8633219-B2 Combination therapy JAPAN TOBACCO INC. (JP) 2014-01-21 — — US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 — — US disclosed
US-7176220-B2 4-oxoquinoline compound and use thereof as pharmaceutical agent JAPAN TOBACCO INC. (JP) 2007-02-13 — — US disclosed
US-7176220-B2 4-oxoquinoline compound and use thereof as pharmaceutical agent JAPAN TOBACCO INC. (JP) 2007-02-13 — — US disclosed
EP-1326610-B1 AZA-AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2006-11-15 — — EP disclosed
US-6841558-B2 Aza-and polyaza-naphthalenyl carboxamides useful as HIV intergrase inhibitors MERCK & CO., INC. (US) 2005-01-11 — — US disclosed
EP-1326610-A4 AZA-AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2004-06-09 — — EP disclosed
US-20040044207-A1 Aza-and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. 2004-03-04 — — US disclosed
EP-1326610-A2 AZA-AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 — — EP disclosed
WO-2002055079-A2 AZA-AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2002-07-18 — — 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 (4 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-20150174117-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 SCD5 1860/4885RAB9A 3060/4885NPC1 726/4885
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT SCD5 1714/4885RAB9A 2870/4885NPC1 792/4885
US-20140364389-A1 Combination Therapy TYMP, TPMT, PNP SCD5 1744/4885RAB9A 4503/4885NPC1 474/4885
US-20040044207-A1 Aza-and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA SCD5 1720/4885RAB9A 3045/4885NPC1 532/4885

“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.

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