SCHEMBL1079999

SCHEMBL1079999

CC(C)(C(=O)NN1CCNCC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
NPY2R P49146 3/20 0.41
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.41
ELOVL1 Q9BW60 1/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40

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
SCHEMBL3256684 0.82 SIGMAR1 (0.41) ALDH1A1HTTKMT2AMAPTSIGMAR1
SCHEMBL4559293 0.81 CES1 (0.45) ALDH1A1HTTKMT2AMAPTSIGMAR1
SCHEMBL27915480 0.75 GNAI3 (0.45) ALDH1A1HTTMAPTSIGMAR1HPGD
SCHEMBL27787058 0.73 CHRM2 (0.54) KMT2AMAPTPOLBMEN1HDAC3
SCHEMBL717372 0.72 HTT (0.69) ALDH1A1HTTSIGMAR1POLBSMN1; SMN2
SCHEMBL1080004 0.72 SIGMAR1 (0.41) ALDH1A1HTTKMT2AMAPTSIGMAR1
SCHEMBL18284663 0.70 SIGMAR1 (0.45) ALDH1A1HTTKMT2AMAPTSIGMAR1
SCHEMBL14543277 0.70 PKM (0.46) ALDH1A1HTTKMT2ASIGMAR1POLB
SCHEMBL2220722 0.70 ALDH1A1 (0.49) ALDH1A1HTTKMT2AMAPTSIGMAR1
Piperidine SCHEMBL7788132 0.69 KMT2A (0.48) ALDH1A1KMT2AMAPTSIGMAR1MEN1

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-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 ALDH1A1 2908/4885HTT 3816/4885KMT2A 1151/4885
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 ALDH1A1 2146/4885HTT 1259/4885KMT2A 2079/4885

“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.