SCHEMBL12378412

SCHEMBL12378412

CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(=O)N2CCC2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.36
GRIN2B Q13224 6/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
PARP1 P09874 3/20 0.33
TMEM97 Q5BJF2 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32

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
SCHEMBL12378416 0.98 NTRK1 (0.36) NTRK1GRIN2BHTR2AHTR2CTMEM97
SCHEMBL12378389 0.97 LIPG (0.35) NTRK1GRIN2BHTR2AHTR2CTMEM97
SCHEMBL12378427 0.94 NTRK1 (0.39) NTRK1HTR2AHTR2CPARP1HRH3
SCHEMBL12378414 0.93 NTRK1 (0.36) NTRK1HTR2AHTR2CXIAPBIRC2
SCHEMBL12378403 0.92 NTRK1 (0.44) NTRK1GRIN2B
SCHEMBL12378717 0.92 PREP (0.33) PARP1LIPGMEN1KMT2A
SCHEMBL12378391 0.92 NTRK1 (0.34) NTRK1GRIN2BHTR2AHTR2CMEN1
SCHEMBL12378714 0.90 LIPG (0.35) PARP1LIPGMEN1KMT2A
SCHEMBL12378703 0.90 LIPG (0.36) LIPGMEN1KMT2A
SCHEMBL12378418 0.88 CCNC (0.38) NTRK1GRIN2BKMT2AXIAPBIRC2

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-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 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 (1 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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS NTRK1 4015/4885GRIN2B 3917/4885HTR2A 3790/4885

“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.