SCHEMBL18587962

SCHEMBL18587962

c1nc(NCC2CCCO2)c2ncn(C3CCCO3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.64
▸ RAB9A P51151 4/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ ALDH1A1 P00352 5/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ TP53 P04637 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ PI4KA P42356 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ ADCY1 Q08828 1/20 0.59
▸ PI4K2B Q8TCG2 1/20 0.59
▸ PI4K2A Q9BTU6 1/20 0.59
▸ PI4KB Q9UBF8 1/20 0.59
▸ CYP2C19 P33261 2/20 0.56
▸ HPGD P15428 4/20 0.52

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
SCHEMBL29665002 1.00 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL18587087 0.89 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL18587834 0.88 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL18587797 0.87 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL29665049 0.87 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL21029515 0.84 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL18587836 0.83 YTHDC1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL29664966 0.83 YTHDC1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9885102 0.82 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL18587805 0.80 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3341371-B1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIV PALACKEHO (CZ) 2022-06-29 — — EP claimed
US-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-09-15 — — US claimed
US-20180298004-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2018-10-18 — — US claimed
EP-3341371-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS Univerzita Palackého V Olomouci (CZ) 2018-07-04 — — EP claimed
WO-2017036434-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2017-03-09 — — WO claimed
EP-3341371-B1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIV PALACKEHO (CZ) 2022-06-29 — — EP disclosed
US-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-09-15 — — US disclosed
US-20180298004-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2018-10-18 — — US disclosed
EP-3341371-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS Univerzita Palackého V Olomouci (CZ) 2018-07-04 — — EP disclosed
WO-2017036434-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2017-03-09 — — 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 (2 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-20180298004-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS XPA, ERCC4, UNG NPC1 3189/4885RAB9A 252/4885SMN1; SMN2 3882/4885
US-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents XPA, ERCC4, UNG NPC1 3283/4885RAB9A 237/4885SMN1; SMN2 3861/4885

“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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