SCHEMBL4337607

SCHEMBL4337607

COc1cc(NC(=O)CC(N)=O)ccc1OCc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CTSV O60911 2/20 0.48
CTSL P07711 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 4/20 0.47
EGFR P00533 2/20 0.47
ERBB2 P04626 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL4333127 0.90 TSHR (0.51) TSHRNPC1RAB9ACTSVCTSL
SCHEMBL3504576 0.88 MRGPRX4 (0.54) HDAC1HDAC2EGFRERBB2HDAC3
SCHEMBL3504711 0.88 EGFR (0.49) HDAC1HDAC2EGFRERBB2HDAC3
SCHEMBL3505411 0.86 EGFR (0.62) ALDH1A1HDAC1HDAC2EGFRERBB2
SCHEMBL24969077 0.83 EGFR (0.58) CTSVCTSLMAPTALDH1A1SMN1; SMN2
SCHEMBL3504082 0.82 MAOB (0.64)
SCHEMBL3649956 0.80 FFAR1 (0.48) HDAC1HDAC2EGFRERBB2HDAC3
SCHEMBL21340751 0.80 EGFR (0.53) CTSVCTSLMAPTALDH1A1SMN1; SMN2
SCHEMBL3505445 0.79 MRGPRX4 (0.54) HDAC1HDAC2EGFRERBB2HDAC3
SCHEMBL3506678 0.78 EGFR (0.59) ALDH1A1HDAC1HDAC2EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
US-6762320-B2 MONOAMINE OXIDASE B INHIBITORS; ALZHEIMER'S DISEASE, SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-07-13 US claimed
US-20030232883-A1 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2003-12-18 US claimed
EP-1511718-B1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO disclosed
US-7053245-B2 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-30 US disclosed
US-20050283019-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2005-12-22 US disclosed
EP-1511718-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-09 EP disclosed
US-20040210079-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2004-10-21 US disclosed
US-6762320-B2 MONOAMINE OXIDASE B INHIBITORS; ALZHEIMER'S DISEASE, SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-07-13 US disclosed
US-20030232883-A1 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2003-12-18 US disclosed
WO-2003099763-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-04 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 (4 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-20030232883-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 TSHR 847/4885NPC1 392/4885RAB9A 2591/4885
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 TSHR 880/4885NPC1 738/4885RAB9A 3058/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 TSHR 650/4885NPC1 436/4885RAB9A 2429/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 TSHR 501/4885NPC1 1313/4885RAB9A 2328/4885

“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.