Sugi Predict

Sugi Predict / Compounds / SCHEMBL4576238

SCHEMBL4576238

SCHEMBL4576238

O=C1Nc2ccc(F)c(F)c2[C@@](C#CC2CC2)(C(F)(F)F)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 8/20 0.43
▸ HTR2A P28223 2/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ CCKBR P32239 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL1152387 1.00 CYP46A1 (0.43) CYP46A1HTR2ANR1I2NR3C1PGR
SCHEMBL29400467 1.00 CYP46A1 (0.43) CYP46A1HTR2ANR1I2NR3C1PGR
SCHEMBL29399335 0.80 CYP46A1 (0.61) CYP46A1HTR2ANR1I2NR3C1PGR
SCHEMBL1152579 0.80 CYP46A1 (0.61) CYP46A1HTR2ANR1I2NR3C1PGR
SCHEMBL1045118 0.80 CYP46A1 (0.61) CYP46A1HTR2ANR1I2NR3C1PGR
SCHEMBL7244180 0.79 ADRA2C (0.37) CYP46A1HTR2AADRA2CTACR2ADRA1D
SCHEMBL7237856 0.79 ADRA2C (0.33) HTR2AADRA2CTACR2ADRA1DPTH1R
SCHEMBL7245454 0.77 CYP46A1 (0.32) CYP46A1HTR2AADRA2CTACR2ADRA1D
SCHEMBL30396114 0.76 CYP46A1 (0.43) CYP46A1HTR2ANR1I2NR3C1PGR
SCHEMBL7989695 0.76 CYP46A1 (0.66) CYP46A1HTR2ANR1I2NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039428-A1 Antiretroviral combination therapy PANACOS PHARMACEUTICALS, INC. (US) 2008-02-14 — — US disclosed
US-6555686-B2 Contacting qinazolinone with cyclopropylacetylene BRISTOL-MYERS SQUIBB PHARMA 2003-04-29 — — US disclosed
US-20020035253-A1 Asymmetric synthesis of quinazolin-2-ones useful as HIV reverse transcriptase inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-03-21 — — US disclosed
US-20010044540-A1 Asymmetric synthesis of quinazolin-2-ones useful as HIV reverse transcriptase inhibitors DUPONT PHARMACEUTICALS COMPANY 2001-11-22 — — 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-20020035253-A1 Asymmetric synthesis of quinazolin-2-ones useful as HIV reverse transcriptase inhibitors QTRT1, NQO2, QTRT2 CYP46A1 1754/4885HTR2A 2294/4885NR1I2 726/4885
US-20010044540-A1 Asymmetric synthesis of quinazolin-2-ones useful as HIV reverse transcriptase inhibitors QTRT1, NQO2, QTRT2 CYP46A1 1754/4885HTR2A 2294/4885NR1I2 726/4885

“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.