SCHEMBL26258668

SCHEMBL26258668

O=C(Nc1ccc(-c2nc3cccnc3o2)cc1)C1CCOC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.59
▸ HPGD P15428 6/20 0.59
▸ NPC1 O15118 6/20 0.59
▸ RAB9A P51151 6/20 0.59
▸ KDM4E B2RXH2 5/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ TP53 P04637 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ ADRB2 P07550 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ MAP4K4 O95819 1/20 0.46
▸ PIP5K1C O60331 5/20 0.46
▸ PIK3CA P42336 5/20 0.46
▸ MAPK10 P53779 4/20 0.46
▸ MAPK8 P45983 2/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ PIP5K1B O14986 1/20 0.46
▸ PIP5K1A Q99755 1/20 0.46
▸ NAMPT P43490 1/20 0.45
▸ ABL1 P00519 1/20 0.44

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
SCHEMBL31284754 1.00 ALDH1A1 (0.59) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL31284971 0.91 ALDH1A1 (0.64) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL24454946 0.91 ALDH1A1 (0.64) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL31284406 0.83 NPC1 (0.59) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL24454933 0.83 ABL1 (0.46) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL24454934 0.83 NPC1 (0.59) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL31284494 0.83 ABL1 (0.46) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL24454893 0.82 HPGD (0.57) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL24454944 0.82 HPGD (0.57) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL24454968 0.82 HPGD (0.57) ALDH1A1HPGDNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — US disclosed
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — 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 (1 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-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2E1, CYP7A1 ALDH1A1 225/4885HPGD 2065/4885NPC1 71/4885

“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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