SCHEMBL6410482

SCHEMBL6410482

CC(Oc1ccc(C=O)cc1Br)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.42
GLA P06280 1/20 0.42
ALDH1A3 P47895 3/20 0.42
ALDH3A1 P30838 1/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6405844 0.78 PTGDR2 (0.41) ALDH1A1ALDH1A3ALDH3A1HTTLMNA
SCHEMBL3631166 0.77 ALDH1A3 (0.52) ALDH1A1HPGDKMT2AALDH1A3ALDH3A1
SCHEMBL11292175 0.76 MEN1 (0.43) ALDH1A1KMT2AALDH1A3ALDH3A1LMNA
SCHEMBL5692404 0.74 POLB (0.58) ALDH1A1HTTKDM4ETSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL1596701 0.73 POLB (0.57) ALDH1A1HTTKDM4ETSHRSMN1; SMN2
SCHEMBL7509476 0.72 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AHTTKDM4E
SCHEMBL27895961 0.72 ALDH1A3 (0.46) ALDH1A1HPGDKMT2AALDH1A3ALDH3A1
SCHEMBL15331292 0.71 TSHR (0.47) ALDH1A1HPGDKMT2AALDH1A3LMNA
SCHEMBL3466337 0.70 DRD1 (0.49) ALDH1A1HPGDALDH1A3ALDH3A1HTT
SCHEMBL29654951 0.70 DRD1 (0.49) ALDH1A1HPGDALDH1A3ALDH3A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US disclosed
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 US disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 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 (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-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 ALDH1A1 2196/4885HPGD 674/4885KMT2A 1170/4885

“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.