SCHEMBL1771402

SCHEMBL1771402

CN1CCN(C(=O)c2ccc(Br)o2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
TSHR P16473 1/20 0.58
ALDH1A1 P00352 6/20 0.57
POLB P06746 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
CHRNB2 P17787 2/20 0.54
CHRNB4 P30926 2/20 0.54
CHRNA3 P32297 2/20 0.54
CHRNA4 P43681 2/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HRH4 Q9H3N8 1/20 0.52
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPK10 P53779 1/20 0.51
HSD17B10 Q99714 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
SCHEMBL6035071 0.85 TSHR (0.59) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL3153541 0.84 TSHR (0.58) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL6598093 0.83 TSHR (0.54) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL3150435 0.81 ALDH1A1 (0.59) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL14549589 0.80 HRH4 (0.60) KMT2AALDH1A1POLBKDM4ENPC1
SCHEMBL13666803 0.80 L3MBTL1 (0.53) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL27506976 0.80 TSHR (0.55) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL6599669 0.80 CHRNB2 (0.61) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL21717780 0.79 PDE4B (0.64) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL6034789 0.79 SETD7 (0.59) KMT2AMEN1TSHRALDH1A1POLB

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
US-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
US-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
US-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
WO-2009121535-A2 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA`DEGLI STUDI DI MILANO - BICOCCA (IT) 2009-10-08 WO disclosed
EP-2107054-A1 Antiproliferative compounds and therapeutic uses thereof Università Degli Studi Di Milano - Bicocca (IT) 2009-10-07 EP 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-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF ABL1, MKI67, BCR KMT2A 1102/4885MEN1 3456/4885TSHR 3193/4885

“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.