SCHEMBL4147772

SCHEMBL4147772

Cc1ccnc(NC2CCCc3c2[nH]c2ccc(Cl)cc32)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GLA P06280 1/20 0.56
DHODH Q02127 1/20 0.55
MAPK1 P28482 1/20 0.54
EIF2AK2 P19525 1/20 0.50
SIRT1 Q96EB6 7/20 0.47
LMNA P02545 2/20 0.47
SIRT2 Q8IXJ6 3/20 0.47
SIRT3 Q9NTG7 2/20 0.47
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.45
BRD3 Q15059 1/20 0.44
GAA P10253 1/20 0.44
CASP6 P55212 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL4150562 0.89 ALOX15 (0.60) ALOX15MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4134717 0.87 DHODH (0.66) ALOX15MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4150301 0.80 ALOX15 (0.57) ALOX15MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4148059 0.78 MAPT (0.63) ALOX15MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4147416 0.78 GAA (0.60) ALOX15MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4148681 0.78 ALOX15 (0.68) ALOX15MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16433477 0.78 ALOX15 (0.71) ALOX15MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13801187 0.77 CYP2D6 (0.65) ALOX15MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4147497 0.76 CYP2D6 (0.74) ALOX15MEN1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4134775 0.76 CYP2D6 (0.64) ALOX15MEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP claimed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US claimed
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-20 US claimed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-20 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-20090156621-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 ALOX15 1407/4885MEN1 4661/4885KMT2A 2940/4885
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT ALOX15 939/4885MEN1 1550/4885KMT2A 3229/4885

“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.