SCHEMBL16018701

SCHEMBL16018701

Cc1cc(Br)c(I)cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.41
▸ GRIA2 P42262 1/20 0.41
▸ GRIA3 P42263 1/20 0.41
▸ GRIA4 P48058 1/20 0.41
▸ PRKDC P78527 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MCL1 Q07820 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ ERN1 O75460 7/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KCNJ1 P48048 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL29447325 0.80 ALDH1A1 (0.46) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL3847770 0.80 ALDH1A1 (0.46) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL15920680 0.77 KDM1A (0.43) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL548760 0.76 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL10291568 0.75 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL22660158 0.75 ERN1 (0.41) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL31260455 0.75 ERN1 (0.44) GRIA1GRIA2GRIA3GRIA4PRKDC
SCHEMBL22660211 0.75 PRKDC (0.61) PRKDCALDH1A1SMN1; SMN2MCL1TSHR
SCHEMBL18015461 0.74 TSHR (0.38) ALDH1A1TSHRLMNACYP3A4
SCHEMBL2884919 0.74 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112566905-B Substituted phenylpropenyl pyridine derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2024-07-30 — — CN disclosed
EP-3967687-A1 SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) 2022-03-16 — — EP disclosed
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-12-16 — — US disclosed
CN-112566905-A Substituted phenyl propenyl pyridine derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2021-03-26 — — CN disclosed
WO-2020228649-A1 SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2020-11-19 — — WO disclosed
WO-2020228649-A1 SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2020-11-19 — — WO disclosed
EP-2968258-B1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-02-12 — — EP disclosed
US-9012412-B2 Dual SGLT1/SGLT2 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-04-21 — — US disclosed
US-9012412-B2 Dual SGLT1/SGLT2 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-04-21 — — US disclosed
WO-2014164286-A1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-09 — — WO disclosed
US-20140256657-A1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-11 — — US disclosed
US-20140256657-A1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-11 — — 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-20140256657-A1 DUAL SGLT1/SGLT2 INHIBITORS SLC5A1, SLC5A2, GLP1R GRIA1 572/4885GRIA2 639/4885GRIA3 865/4885
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS PDCD1, CD274, PDCD1LG2 GRIA1 1396/4885GRIA2 3636/4885GRIA3 3395/4885

“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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