SCHEMBL4166153

SCHEMBL4166153

O=Cc1ccc2[nH]cc(Cl)c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ KIF11 P52732 2/20 0.47
▸ CYP2A6 P11509 4/20 0.46
▸ IMPDH2 P12268 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ VCAM1 P19320 1/20 0.40
▸ ALDH1A3 P47895 3/20 0.39
▸ ALDH3A1 P30838 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ PTGER4 P35408 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30587822 1.00 ALDH1A1 (0.48) ALDH1A1KIF11CYP2A6IMPDH2CYP1A2
SCHEMBL2811665 0.85 ALDH1A1 (0.48) ALDH1A1KIF11CYP2A6IMPDH2VCAM1
SCHEMBL29954011 0.81 ALDH1A1 (0.62) ALDH1A1KIF11CYP2A6IMPDH2CYP1A2
SCHEMBL5784762 0.78 KIF11 (0.47) ALDH1A1KIF11CYP2A6IMPDH2CYP1A2
SCHEMBL6519767 0.78 KIF11 (0.47) ALDH1A1KIF11CYP2A6IMPDH2CYP1A2
SCHEMBL26107219 0.78 KIF11 (0.47) ALDH1A1KIF11CYP2A6IMPDH2CYP1A2
SCHEMBL12846455 0.74 CYP2A6 (0.59) ALDH1A1KIF11CYP2A6IMPDH2CYP1A2
SCHEMBL38663621 0.74 GPR84 (0.62) F7F3GPR84
SCHEMBL30030224 0.74 KIF11 (0.60) ALDH1A1KIF11CYP2A6IMPDH2CYP1A2
SCHEMBL3601687 0.74 IMPDH2 (0.51) ALDH1A1KIF11CYP2A6IMPDH2CYP1A2

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
CN-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 — — CN disclosed
WO-2023179366-A1 OXADIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 星希尔生物科技(上海)有限公司 2023-09-28 — — WO disclosed
EP-3233797-B1 MAP4K4 (HGK) INHIBITORS Sri int inc (US) 2019-05-08 — — EP disclosed
US-10000451-B2 MAP4K4 (HGK) inhibitors SRI INTERNATIONAL (US) 2018-06-19 — — US disclosed
US-20170320824-A1 MAP4K4 (HGK) Inhibitors SRI INTERNATIONAL (US) 2017-11-09 — — US disclosed
EP-3233797-A1 MAP4K4 (HGK) Inhibitors SRI International Inc. (US) 2017-10-25 — — EP disclosed
WO-2016114816-A1 MAP4K4 (HGK) Inhibitors SRI INTERNATIONAL (US) 2016-07-21 — — WO disclosed
US-8084466-B2 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-12-27 — — US disclosed
US-20090156613-A1 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor KINDRACHUK DAVID E 2009-06-18 — — 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 (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-20170320824-A1 MAP4K4 (HGK) Inhibitors MAP4K4, MAP4K2, MAP4K3 ALDH1A1 2488/4885KIF11 703/4885CYP2A6 2704/4885
US-20090156613-A1 Bicyclic heteroaryl-substituted imidazoles as modulators of the histamine H4 receptor HRH4, HRH3, HRH1 ALDH1A1 3944/4885KIF11 4461/4885CYP2A6 2457/4885
US-10000451-B2 MAP4K4 (HGK) inhibitors MAP4K4, MAP4K2, MAP4K3 ALDH1A1 2488/4885KIF11 703/4885CYP2A6 2704/4885

“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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