SCHEMBL2954267

SCHEMBL2954267

CC(C)(C)N1C(=O)c2ccc(Cl)cc2C1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP11B1 P15538 5/20 0.40
▸ CYP11B2 P19099 5/20 0.40
▸ HTR2B P41595 1/20 0.37
▸ S100A4 P26447 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ PPOX P50336 1/20 0.33
▸ ABCC9 O60706 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2D6 P10635 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
SCHEMBL13237699 1.00 ALDH1A1 (0.41) ALDH1A1RAB9AHSD17B10CYP11B1CYP11B2
SCHEMBL3839962 0.83 ALDH1A1 (0.42) ALDH1A1RAB9AHSD17B10CYP11B1CYP11B2
SCHEMBL2262138 0.82 SMN1; SMN2 (0.40) ALDH1A1RAB9AMEN1KMT2ALMNA
SCHEMBL14696426 0.81 CA9 (0.43) ALDH1A1RAB9AHSD17B10ALOX15HPGD
SCHEMBL20367014 0.78 MEN1 (0.51) ALDH1A1RAB9AHSD17B10MEN1KMT2A
SCHEMBL4466267 0.73 LMNA (0.41) ALDH1A1RAB9AHSD17B10CYP11B1CYP11B2
SCHEMBL9188549 0.71 HPGD (0.42) ALDH1A1RAB9AHSD17B10CYP11B1CYP11B2
SCHEMBL7439509 0.70 RAB9A (0.67) ALDH1A1RAB9AHSD17B10CYP11B1CYP11B2
SCHEMBL14911495 0.70 HTR2B (0.40) ALDH1A1RAB9AHSD17B10HTR2BMEN1
SCHEMBL30430382 0.70 HTR2B (0.40) ALDH1A1RAB9AHSD17B10HTR2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856058-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-09-03 — — EP disclosed
US-7759337-B2 Phthalazine compounds and methods of use AMGEN INC. (US) 2010-07-20 — — US disclosed
EP-1856058-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-11-21 — — EP disclosed
WO-2006094187-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-09-08 — — WO disclosed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 — — 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-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 ALDH1A1 1599/4885RAB9A 3386/4885HSD17B10 3835/4885

“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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