SCHEMBL616398

SCHEMBL616398

CN(C(=O)C(Cl)Cc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ CPA1 P15085 2/20 0.42
▸ CPB1 P15086 1/20 0.42
▸ CPA3 P15088 1/20 0.42
▸ CPB2 Q96IY4 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL28711269 0.90 KMT2A (0.42) HPGDALDH1A1POLBKMT2ACYP3A4
SCHEMBL28711268 0.90 KMT2A (0.42) HPGDALDH1A1POLBKMT2ACYP3A4
SCHEMBL24986138 0.85 ROCK2 (0.47) HPGDALDH1A1KMT2ACYP3A4HIF1A
SCHEMBL28712598 0.85 ROCK2 (0.47) HPGDALDH1A1KMT2ACYP3A4HIF1A
SCHEMBL1818244 0.84 TSHR (0.43) HPGDALDH1A1LMNAPOLBKMT2A
SCHEMBL11404152 0.83 EGFR (0.45) ALDH1A1LMNAPOLBKMT2ANPC1
SCHEMBL18325693 0.81 HPGD (0.66) HPGDALDH1A1LMNACYP1A2KMT2A
SCHEMBL616619 0.81 HPGD (0.49) HPGDALDH1A1LMNACYP1A2POLB
SCHEMBL16669849 0.80 ALPI (0.58) HPGDALDH1A1LMNALTA4HALPI
SCHEMBL616294 0.80 ALDH1A1 (0.54) HPGDALDH1A1LMNACYP1A2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-07-01 — — US disclosed
US-10745390-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-08-18 — — US disclosed
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-11-23 — — US disclosed
US-9695157-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-07-04 — — US disclosed
US-20150210674-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-07-30 — — US disclosed
US-9000009-B2 Small molecule activators of mitochondrial function THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-04-07 — — US disclosed
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 — — US disclosed
WO-2010068767-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-17 — — 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 (5 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-20150210674-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 HPGD 280/4885ALDH1A1 1639/4885LMNA 3015/4885
US-20170334890-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 HPGD 280/4885ALDH1A1 1639/4885LMNA 3015/4885
US-20120041023-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 HPGD 274/4885ALDH1A1 1447/4885LMNA 2895/4885
US-10745390-B2 Small molecule activators of mitochondrial function TFAM, TFB2M, GFM1 HPGD 280/4885ALDH1A1 1639/4885LMNA 3015/4885
US-20210198244-A1 SMALL MOLECULE ACTIVATORS OF MITOCHONDRIAL FUNCTION TFAM, TFB2M, GFM1 HPGD 280/4885ALDH1A1 1639/4885LMNA 3015/4885

“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.

Send feedback