SCHEMBL10176150

SCHEMBL10176150

COC(=O)c1nc(Br)ccc1OCCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
USP2 O75604 1/20 0.49
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CYP2D6 P10635 3/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR2A P28223 2/20 0.45
HTR1A P08908 1/20 0.45
CYP2C9 P11712 1/20 0.44

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
SCHEMBL16864138 0.87 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2TDP1NPC1
SCHEMBL24742512 0.84 MEN1 (0.56) KDM4EALDH1A1SMN1; SMN2TDP1NPC1
SCHEMBL21199286 0.80 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2USP2POLB
SCHEMBL30946658 0.80 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2USP2POLB
SCHEMBL10227460 0.78 S1PR4 (0.47) KDM4EALDH1A1TDP1NPC1RAB9A
SCHEMBL29660019 0.76 XDH (0.41)
SCHEMBL20870366 0.76 XDH (0.41)
SCHEMBL6044788 0.75 KEAP1 (0.64) KDM4EALDH1A1SMN1; SMN2TDP1USP2
SCHEMBL3470303 0.75 CYP2D6 (0.65) KDM4EALDH1A1SMN1; SMN2TDP1NPC1
SCHEMBL21681940 0.74 KDM4E (0.55) KDM4EALDH1A1TDP1USP2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 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-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX KDM4E 2909/4885ALDH1A1 3814/4885SMN1; SMN2 1830/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX KDM4E 2909/4885ALDH1A1 3814/4885SMN1; SMN2 1830/4885

“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.