SCHEMBL2490943

SCHEMBL2490943

CCOC(=O)Cn1nnc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.67
GAA P10253 6/20 0.62
KMT2A Q03164 2/20 0.62
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
LMNA P02545 1/20 0.61
MGAM O43451 4/20 0.60
AMY1A P0DUB6 4/20 0.60
SI P14410 4/20 0.60
MGAM2 Q2M2H8 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
POLB P06746 1/20 0.59
ALDH1A1 P00352 2/20 0.58
AGTR1 P30556 1/20 0.58
THRB P10828 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SLC9A1 P19634 1/20 0.57
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 2/20 0.54

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
SCHEMBL19834327 0.90 RAB9A (0.61) TP53GAAKMT2ARAB9ANPC1
SCHEMBL15141852 0.86 EGLN3 (0.65) TP53GAAKMT2ARAB9ANPC1
SCHEMBL12808487 0.86 RAB9A (0.59) TP53GAARAB9ANPC1LMNA
SCHEMBL28596650 0.84 TP53 (0.59) TP53GAAKMT2ARAB9ANPC1
SCHEMBL22965243 0.83 SLC9A1 (0.61) TP53KMT2ARAB9ANPC1LMNA
SCHEMBL13825807 0.82 SLC9A1 (0.62) TP53KMT2ARAB9ANPC1LMNA
SCHEMBL12393295 0.81 SLC9A1 (0.63) TP53KMT2ARAB9ANPC1LMNA
SCHEMBL15479156 0.81 SLC9A1 (0.55) TP53GAAKMT2ARAB9ANPC1
SCHEMBL5285726 0.81 TP53 (0.59) TP53GAAKMT2ARAB9ANPC1
SCHEMBL27033558 0.81 KMO (0.56) TP53GAARAB9ANPC1LMNA

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-8071764-B2 Compounds of reverse turn mimetics and the use thereof (2) CHOONGWAE PHARMA CORPORATION (KR) 2011-12-06 US claimed
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2010-09-09 US claimed
EP-2212328-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) Choongwae Pharma Corporation (KR) 2010-08-04 EP claimed
WO-2009051398-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO claimed
EP-2212328-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORP (KR) 2017-01-25 EP disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
US-8071764-B2 Compounds of reverse turn mimetics and the use thereof (2) CHOONGWAE PHARMA CORPORATION (KR) 2011-12-06 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2010-09-09 US disclosed
EP-2212328-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) Choongwae Pharma Corporation (KR) 2010-08-04 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
WO-2009051398-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO disclosed
WO-1992021681-A1 NOVEL CEPHALOSPORINS AND PROCESSES FOR PREPARATION THEREOF DAE WONG PHARMACEUTICAL CO., LTD. (KR) 1992-12-10 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-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) MCL1, BID, MYADM TP53 29/4885GAA 3527/4885KMT2A 1634/4885

“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.