SCHEMBL6902600

SCHEMBL6902600

CCCCn1c(=O)[nH]c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.72
▸ MEN1 O00255 2/20 0.70
▸ CYP1A2 P05177 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ LMNA P02545 4/20 0.69
▸ HPGD P15428 2/20 0.69
▸ HTT P42858 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ MAPT P10636 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69
▸ POLB P06746 1/20 0.64
▸ HTR7 P34969 4/20 0.57
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ P2RX7 Q99572 2/20 0.53
▸ MLNR O43193 1/20 0.53
▸ NR1I2 O75469 1/20 0.53

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
SCHEMBL1838349 0.95 RAB9A (0.70) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL11139092 0.94 RAB9A (0.68) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL25315525 0.94 RAB9A (0.68) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL8132581 0.94 RAB9A (0.68) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL763168 0.90 CYP1A2 (0.74) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL29695523 0.90 CYP1A2 (0.74) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL30947438 0.90 LMNA (0.78) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL6397082 0.83 LMNA (0.69) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL318943 0.83 LMNA (0.69) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL30277537 0.83 LMNA (0.69) RAB9AMEN1CYP1A2KMT2ALMNA

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
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 — — WO claimed
WO-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 — — WO disclosed
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 — — EP disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 — — US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 — — US disclosed
US-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 — — US disclosed
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 — — US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 — — US disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 — — US disclosed
US-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 — — US disclosed
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 — — 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 (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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 RAB9A 2363/4885MEN1 2011/4885CYP1A2 364/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 RAB9A 2023/4885MEN1 792/4885CYP1A2 4868/4885

“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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