SCHEMBL4225535

SCHEMBL4225535

O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
GAA P10253 2/20 0.72
TSHR P16473 2/20 0.66
POLB P06746 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
MAPT P10636 1/20 0.65
PKM P14618 3/20 0.62
IKBKB O14920 1/20 0.56
CHUK O15111 1/20 0.56
USP2 O75604 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTR2B P41595 1/20 0.52
ATR Q13535 1/20 0.52
PARL Q9H300 1/20 0.51

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
SCHEMBL893688 0.89 MAPT (0.68) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL17246 0.89 MAPT (0.68) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL15284182 0.87 MAPT (0.66) ALDH1A1GAAPOLBSMN1; SMN2MAPT
Piperazine SCHEMBL28102264 0.87 MAPT (0.66) ALDH1A1GAAPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL16186 0.87 MAPT (0.66) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL1974783 0.87 ALDH1A1 (0.85) ALDH1A1GAATSHRPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL8130433 0.86 MAPT (0.64) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL6793664 0.85 MAPT (0.63) ALDH1A1GAATSHRMAPTPKM
SCHEMBL6792483 0.85 PKM (0.73) ALDH1A1GAAPOLBSMN1; SMN2MEN1
SCHEMBL30754647 0.85 PKM (0.78) ALDH1A1GAATSHRSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8377948-B2 Antitumor agents and methods of their use THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-19 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20090048265-A1 NOVEL ANTITUMOR AGENTS AND METHODS OF THEIR USE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-02-19 US disclosed
WO-2006002088-A2 AMINO-QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-01-05 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B ALDH1A1 2789/4885GAA 3947/4885TSHR 4082/4885
US-20090048265-A1 NOVEL ANTITUMOR AGENTS AND METHODS OF THEIR USE ADRB1, ADRA2A, ADRA1A ALDH1A1 219/4885GAA 732/4885TSHR 2380/4885

“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.