SCHEMBL6669652

SCHEMBL6669652

Clc1ccc(Cl)c(Nc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
GAA P10253 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP2C9 P11712 2/20 0.53
CXCL8 P10145 1/20 0.53
RAPGEF4 Q8WZA2 1/20 0.50
CXCR2 P25025 1/20 0.50
C1R P00736 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
IDO1 P14902 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 1/20 0.45
ALK Q9UM73 1/20 0.45
FADS1 O60427 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL26894571 0.85 L3MBTL1 (0.59) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL9631014 0.83 ALDH1A1 (0.69) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL14315671 0.82 ALDH1A1 (0.67) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL11791959 0.82 ALDH1A1 (0.48) ALDH1A1HTTGAATDP1L3MBTL1
SCHEMBL25129316 0.80 ALDH1A1 (0.64) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL12497077 0.80 ALDH1A1 (0.50) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL29706057 0.80 L3MBTL1 (0.50) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL24359580 0.80 GAA (0.50) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL22204652 0.80 L3MBTL1 (0.50) ALDH1A1HTTGAATDP1ALOX15
SCHEMBL29010803 0.80 ALOX15 (0.50) ALDH1A1HTTGAATDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116019794-A Application of amino fullerene material in preparation of exosome PD-L1 inhibition drugs 中国科学院化学研究所 2023-04-28 CN disclosed
EP-1456181-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS Pfizer Products Inc. (US) 2004-09-15 EP disclosed
US-6753334-B2 PREPARING A PHENYL OR QUINOLINYL HYDRAZINE BY REDUCING THE CORRESPONDING DIAZONIUM SALT WITH ASCORBIC ACID AND HEATING; COLORLESS PRODUCT; INTERMEDIATES TO DRUGS FOR REDUCING TISSUE DAMAGE FROM ISCHEMIA OR HYPOXIA PFIZER, INC. 2004-06-22 US disclosed
US-6627643-B2 Sodium-hydrogen exchanger type 1 (NHE-1) inhibitors of formula I' are useful for the prevention and treatment of myocardial ischemic injury. Myocardial ischemic injury can occur in out-patient in perioperative settings and can lead to sudden PFIZER INC. 2003-09-30 US disclosed
EP-1337508-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS Pfizer Products Inc. (US) 2003-08-27 EP disclosed
WO-2003051845-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2003-06-26 WO disclosed
US-20030119873-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER INC. 2003-06-26 US disclosed
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors LAMBERT JOHN F (US) 2002-06-27 US disclosed
WO-2002044133-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2002-06-06 WO disclosed
EP-0215312-B1 METHOD FOR PRODUCING OF POLYARYLENE SULFIDES IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1992-03-25 EP disclosed
US-4810773-A HIGH MOLECULAR WEIGHT ENGINEERING THERMOPLASTICS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1989-03-07 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-20030119873-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS NHERF1, SLC9A1, SLC9A2 ALDH1A1 637/4885HTT 1041/4885GAA 671/4885
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors SLC9A1, NHERF1, SLC9A5 ALDH1A1 531/4885HTT 656/4885GAA 1407/4885

“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.