SCHEMBL16730433

SCHEMBL16730433

COc1cc(N2CCCCC2=O)ccc1N1CCC=C(N2CCOCC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ F10 P00742 5/20 0.39
▸ MAPT P10636 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HPGD P15428 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35

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
SCHEMBL16730424 0.88 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2AF10MAPT
SCHEMBL16730288 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL5444324 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AF10HPGD
SCHEMBL16730431 0.81 MAPT (0.44) ALDH1A1MAPTGAAALOX15SMN1; SMN2
SCHEMBL16730291 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AF10MAPT
SCHEMBL16730262 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD
SCHEMBL28902577 0.80 ATR (0.37) ALDH1A1KDM4EKMT2AMAPTALOX15
SCHEMBL16730432 0.76 SLC6A5 (0.48) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL18028120 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2AF10MAPT
SCHEMBL17205684 0.72 HPGD (0.48) ALDH1A1KMT2AF10HPGDMEN1

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 905/4885KDM4E 938/4885KMT2A 3593/4885

“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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