SCHEMBL21864476

SCHEMBL21864476

Cc1c(-c2cccc(F)c2C=O)ccnc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.35
▸ NFE2L2 Q16236 4/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KCNH2 Q12809 3/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL30949157 0.78 GPBAR1 (0.44) ALDH1A1KDM4ENFE2L2GPBAR1TDP1
SCHEMBL25120559 0.78 GPBAR1 (0.44) ALDH1A1KDM4ENFE2L2GPBAR1TDP1
SCHEMBL22167076 0.76 — —
SCHEMBL2687037 0.73 SLC40A1 (0.39) SMN1; SMN2RAB9AL3MBTL1SLC40A1NFE2L2
SCHEMBL29912312 0.73 SLC40A1 (0.39) SMN1; SMN2RAB9AL3MBTL1SLC40A1NFE2L2
SCHEMBL25120657 0.72 MAPT (0.39) SMN1; SMN2ALDH1A1RAB9AKDM4EGPBAR1
SCHEMBL22167071 0.72 ERN1 (0.33) NFE2L2GPBAR1PTGS2PIK3C3
SCHEMBL29954202 0.71 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1RAB9AKDM4EL3MBTL1
SCHEMBL18795405 0.71 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1RAB9AKDM4EL3MBTL1
SCHEMBL24037150 0.71 HDAC1 (0.40) ALDH1A1GPBAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11800788-B2 Organometallic compound and organic light-emitting device including i he same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-24 — — US disclosed
US-20210193938-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-24 — — US disclosed
US-20200212319-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 — — US disclosed
EP-3637489-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2020-04-15 — — EP disclosed
US-20200111977-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-09 — — 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-11800788-B2 Organometallic compound and organic light-emitting device including i he same UBE2L3, CRY1, OR10J3 SMN1; SMN2 3519/4885ALDH1A1 230/4885RAB9A 1483/4885
US-20200212319-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME OR10J3, UBE2L3, NR2E3 SMN1; SMN2 3558/4885ALDH1A1 279/4885RAB9A 1866/4885
US-20200111977-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ORC3, ORMDL3, OR10J3 SMN1; SMN2 4245/4885ALDH1A1 477/4885RAB9A 3906/4885

“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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