SCHEMBL16730424

SCHEMBL16730424

Cc1cc(N2CCCCC2=O)ccc1N1CCC=C(N2CCOCC2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ BRD9 Q9H8M2 1/20 0.43
▸ HPGD P15428 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ F10 P00742 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL16730288 0.97 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EBRD9HPGD
SCHEMBL16730291 0.93 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EBRD9HPGD
SCHEMBL16730433 0.88 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EBRD9HPGD
SCHEMBL5444324 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EHPGDL3MBTL1
SCHEMBL16730262 0.82 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EHPGDL3MBTL1
SCHEMBL28902577 0.81 ATR (0.37) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL16730286 0.80 MAPT (0.46) ALDH1A1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL16730289 0.78 LGMN (0.43) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL18028120 0.77 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL16730284 0.75 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
US-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
EP-3072892-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Chengdu Easton Biopharmaceuticals Co., Ltd. (CN) 2016-09-28 — — EP disclosed
US-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Zhejiang Yatai Pharmaceutical Co., Ltd. (CN) 2016-08-25 — — US disclosed
US-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Zhejiang Yatai Pharmaceutical Co., Ltd. (CN) 2016-08-25 — — US disclosed
WO-2015070809-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF 成都苑东药业有限公司 2015-05-21 — — 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 (1 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-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF PEPD, F2, XDH ALDH1A1 905/4885KMT2A 3593/4885KDM4E 938/4885

“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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