SCHEMBL1912176

SCHEMBL1912176

CN1CC[C@@H](NC(=N)NCc2ccccn2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
RECQL P46063 1/20 0.44
SSTR4 P31391 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SSTR1 P30872 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL357853 0.86 HPGD (0.50) HPGDRECQLSSTR4MEN1KMT2A
SCHEMBL14391516 0.86 HPGD (0.50) HPGDRECQLSSTR4MEN1KMT2A
SCHEMBL25096572 0.81 HRH3 (0.47) HPGDRECQLTSHRSIGMAR1
SCHEMBL25103815 0.81 HRH3 (0.47) HPGDRECQLTSHRSIGMAR1
SCHEMBL25103818 0.81 HRH3 (0.47) HPGDRECQLTSHRSIGMAR1
SCHEMBL1911126 0.80 SSTR4 (0.41) HPGDRECQLSSTR4MEN1KMT2A
SCHEMBL12409132 0.79 SIGMAR1 (0.63) HPGDRECQLSSTR4SSTR1SIGMAR1
SCHEMBL4975797 0.78 ALDH1A1 (0.52) HPGDRECQLKMT2ASMN1; SMN2SIGMAR1
SCHEMBL13321381 0.75 VCP (0.49) TSHRSIGMAR1
SCHEMBL16293101 0.73 ALDH1A1 (0.49) HPGDRECQLMEN1KMT2ATSHR

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-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 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 (4 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 HPGD 1278/4885RECQL 773/4885SSTR4 1248/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 HPGD 2604/4885RECQL 1482/4885SSTR4 418/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 HPGD 2604/4885RECQL 1482/4885SSTR4 418/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 HPGD 2604/4885RECQL 1482/4885SSTR4 418/4885

“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.