SCHEMBL2018134

SCHEMBL2018134

CCc1ccc2c(O)ccnc2n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
IDO1 P14902 2/20 0.32
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
PRKCI P41743 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
CDC7 O00311 1/20 0.30
DBF4 Q9UBU7 1/20 0.30
SREBF2 Q12772 1/20 0.30

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
SCHEMBL2970208 0.86 KDM4E (0.42) IDO1KDM4ELMNACYP3A4TSHR
SCHEMBL11414604 0.80 GABRA5 (0.36) CYP1A2POLBKDM4ELMNATSHR
SCHEMBL2022566 0.78 AXL (0.35) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL2025555 0.77 KMT2A (0.44) KDM4ELMNACYP3A4
SCHEMBL30836089 0.76 CYP1A2 (0.32) CYP1A2KDM4E
SCHEMBL2026652 0.76 CYP1A2 (0.32) CYP1A2KDM4E
Hydrochloric Acid SCHEMBL11568340 0.76 KMT2A (0.43) KDM4ELMNACYP3A4
SCHEMBL11567724 0.76 KMT2A (0.43) KDM4ELMNACYP3A4
Hydrochloric Acid SCHEMBL11566738 0.76 KMT2A (0.43) KDM4ELMNACYP3A4
Hydrochloric Acid SCHEMBL11567780 0.76 KMT2A (0.43) KDM4ELMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO 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 (3 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CYP1A2 877/4885POLB 442/4885IDO1 1059/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CYP1A2 877/4885POLB 442/4885IDO1 1059/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 CYP1A2 877/4885POLB 442/4885IDO1 1059/4885

“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.