SCHEMBL753610

SCHEMBL753610

Cc1ccc2sc3c4cc5sc6c7cc(C)ccc7sc6c5cc4sc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
IDO1 P14902 2/20 0.37
CYP2A6 P11509 4/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 4/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
CYP1A2 P05177 3/20 0.35
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL16785723 0.95 PIM1 (0.42) PIM1PIM2IDO1CYP2A6BCL2L1
SCHEMBL17037059 0.91 BCL2L1 (0.42) PIM1PIM2IDO1CYP2A6BCL2L1
SCHEMBL16978717 0.90 PIM1 (0.40) PIM1PIM2IDO1CYP2A6BCL2L1
SCHEMBL754829 0.86 BCL2L1 (0.44) CYP2A6BCL2L1MCL1KDM4EMAPT
SCHEMBL825667 0.86 CYP2A6 (0.39) PIM1PIM2IDO1CYP2A6BCL2L1
SCHEMBL15497381 0.82 PIM1 (0.40) PIM1PIM2IDO1CYP2A6BCL2L1
SCHEMBL16978721 0.82 MAPT (0.44) PIM1PIM2CYP2A6KDM4EALDH1A1
SCHEMBL3123994 0.81 BCL2L1 (0.47) CYP2A6BCL2L1MCL1KDM4EALDH1A1
SCHEMBL12797652 0.81 BCL2L1 (0.41) CYP2A6BCL2L1MCL1KDM4EALDH1A1
SCHEMBL1609993 0.80 CYP2A6 (0.42) PIM1PIM2IDO1CYP2A6BCL2L1

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-9260451-B2 Method for producing aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-16 US disclosed
US-9260451-B2 Method for producing aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-16 US disclosed
US-20150239901-A1 Method For Producing Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-27 US disclosed
US-20150239901-A1 Method For Producing Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-27 US disclosed
US-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 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-20150239901-A1 Method For Producing Aromatic Compound TYR, XDH, CYP1A1 PIM1 1670/4885PIM2 1738/4885IDO1 230/4885
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME AS3MT, TERT, TEAD1 PIM1 2507/4885PIM2 2448/4885IDO1 846/4885

“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.