Sugi Predict

Sugi Predict / Compounds / SCHEMBL3570882

SCHEMBL3570882

SCHEMBL3570882

CSc1cccc(-c2c(Cl)cccc2Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.40
▸ STK10 O94804 2/20 0.36
▸ SLK Q9H2G2 2/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ TGFBR1 P36897 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CFTR P13569 2/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ BMPR1B O00238 1/20 0.33
▸ STK25 O00506 1/20 0.33
▸ GAK O14976 1/20 0.33
▸ EPHB6 O15197 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
SCHEMBL3567550 0.80 AKR1C3 (0.44) IDO1AKR1C3AKR1C2TGFBR1MEN1
SCHEMBL2844519 0.77 L3MBTL1 (0.44) AKR1C2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3569291 0.77 ALOX5 (0.41) IDO1RAB9ASMN1; SMN2GRIA1CACNG8
SCHEMBL26191583 0.75 ESR2 (0.41) MEN1KMT2ACYP1A2SMOALDH1A1
SCHEMBL11454164 0.74 MAPK1 (0.44) MAPTCYP1A2ALDH1A1MAPK1
SCHEMBL31232612 0.74 MAPK1 (0.52) IDO1AKR1C3AKR1C2MEN1MAPT
SCHEMBL2851007 0.73 RXRA (0.41) MAPTCYP3A4CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL2847969 0.73 DYRK1A (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2794149 0.73 BCL2 (0.41) IDO1TGFBR1GRIN2B
SCHEMBL3570866 0.72 GRIA1 (0.42) MAPTEGFRSRCMAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO claimed
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 — — US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 — — US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — WO disclosed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 — — 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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 IDO1 2568/4885STK10 1977/4885SLK 4507/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP IDO1 3328/4885STK10 2506/4885SLK 4451/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 IDO1 3215/4885STK10 2755/4885SLK 4715/4885

“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.