SCHEMBL16998544

SCHEMBL16998544

CC(C)(C)n1ncc(OCc2ccc(OCCOCCF)nc2)c(Cl)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ NR2F2 P24468 1/20 0.40
▸ GPR183 P32249 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ APP P05067 9/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SNCA P37840 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPK1 P28482 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16998541 1.00 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL16998539 0.92 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL16998550 0.91 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL16998543 0.91 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL16998542 0.91 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL15566227 0.91 SMN1; SMN2 (0.42) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL25955362 0.90 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL18649663 0.90 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL26848566 0.90 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1NPC1GALR3
SCHEMBL15596698 0.88 APP (0.48) SMN1; SMN2LMNAMEN1NPC1GALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3058960-B1 DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER HAMAMATSU PHOTONICS KK (JP) 2023-08-30 — — EP disclosed
US-9872928-B2 Diagnostic agent for therapeutic effect on cancer HAMAMATSU PHOTONICS K.K. (JP) 2018-01-23 — — US disclosed
US-9872928-B2 Diagnostic agent for therapeutic effect on cancer HAMAMATSU PHOTONICS K.K. (JP) 2018-01-23 — — US disclosed
US-9598399-B2 Compound suitable for detection of mitochondrial complex-1 HAMAMATSU PHOTONICS K.K. (JP) 2017-03-21 — — US disclosed
US-9598399-B2 Compound suitable for detection of mitochondrial complex-1 HAMAMATSU PHOTONICS K.K. (JP) 2017-03-21 — — US disclosed
US-20160256578-A1 DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER HAMAMATSU PHOTONICS K.K. (JP) 2016-09-08 — — US disclosed
US-20160256578-A1 DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER HAMAMATSU PHOTONICS K.K. (JP) 2016-09-08 — — US disclosed
US-20150225368-A1 COMPOUND SUITABLE FOR DETECTION OF MITOCHONDRIAL COMPLEX-1 HAMAMATSU PHOTONICS K.K. (JP) 2015-08-13 — — US disclosed
US-20150225368-A1 COMPOUND SUITABLE FOR DETECTION OF MITOCHONDRIAL COMPLEX-1 HAMAMATSU PHOTONICS K.K. (JP) 2015-08-13 — — 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 (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-20160256578-A1 DIAGNOSTIC AGENT FOR THERAPEUTIC EFFECT ON CANCER NOC2L, NOP56, NPM1 SMN1; SMN2 1322/4885LMNA 2038/4885MEN1 236/4885
US-20150225368-A1 COMPOUND SUITABLE FOR DETECTION OF MITOCHONDRIAL COMPLEX-1 MT-ND1, MT-CO1, UQCRC1 SMN1; SMN2 1449/4885LMNA 2024/4885MEN1 1177/4885

“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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