SCHEMBL8090986

SCHEMBL8090986

CC1(c2ccccc2)NC(=S)SC1=S

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ CA2 P00918 1/20 0.32
▸ NAT1 P18440 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ NPY5R Q15761 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ TSHR P16473 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
SCHEMBL7236829 0.81 ALDH1A1 (0.45) ALDH1A1MMP2MMP9GAACA2
SCHEMBL7977554 0.81 ALDH1A1 (0.45) ALDH1A1MMP2MMP9GAACA2
SCHEMBL14077803 0.69 ALDH1A1 (0.40) ALDH1A1MMP2MMP9GAAHTT
SCHEMBL3299636 0.65 ALDH1A1 (0.47) ALDH1A1MMP2MMP9GAABACE1
SCHEMBL7243423 0.63 CYP2C19 (0.50) LMNATSHR
SCHEMBL7480064 0.63 CNR1 (0.44) ALDH1A1GAALMNAKDM4EMAPT
SCHEMBL4237258 0.62 ALDH1A1 (0.56) ALDH1A1MMP2MMP9GAAHTT
SCHEMBL542865 0.60 ALDH1A1 (0.59) ALDH1A1MMP2MMP9LMNAMAPT
SCHEMBL4384462 0.60 ALDH1A1 (0.59) ALDH1A1MMP2MMP9LMNAMAPT
SCHEMBL16705613 0.60 ALDH1A1 (0.42) ALDH1A1MMP2MMP9GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168091-A1 Imidazole Amines As Inhibitors Of Beta-secretase WYETH LLC (US) 2010-07-01 — — US disclosed
US-7700606-B2 Imidazole amines as inhibitors of β-secretase WYETH LLC (US) 2010-04-20 — — US disclosed
US-20080214577-A1 New Compounds 320 ASTRAZENECA AB (SE) 2008-09-04 — — US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 — — US disclosed
US-20080051390-A1 Imidazole amines as inhibitors of beta-secretase WYETH (US) 2008-02-28 — — US disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 — — US disclosed
EP-0713132-B1 Chemical sensitisation of silver halide emulsions EASTMAN KODAK CO (US) 2000-12-20 — — EP disclosed
US-5604084-A ADDING SULFUR RELEASING ORGANIC POLYMER HAVING MULTIPLE SULFUR RELEASING GROUPS IMATION CORP. (US) 1997-02-18 — — US disclosed
EP-0713132-A1 Chemical sensitisation of silver halide emulsions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-22 — — EP 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 (5 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-20070299087-A1 New Compounds 319 PSEN2, PSEN1, MAPT ALDH1A1 2495/4885MMP2 2473/4885MMP9 2504/4885
US-20100168091-A1 Imidazole Amines As Inhibitors Of Beta-secretase BACE1, BACE2, APP ALDH1A1 945/4885MMP2 805/4885MMP9 927/4885
US-20080214577-A1 New Compounds 320 PSEN1, PSEN2, MAPT ALDH1A1 2575/4885MMP2 2898/4885MMP9 3049/4885
US-20080051420-A1 New Compounds 317 PSEN2, PSEN1, MAPT ALDH1A1 2455/4885MMP2 2723/4885MMP9 3172/4885
US-20080051390-A1 Imidazole amines as inhibitors of beta-secretase BACE1, BACE2, APP ALDH1A1 912/4885MMP2 588/4885MMP9 809/4885

“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.

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