SCHEMBL5878404

SCHEMBL5878404

NC[C@@H](O)COc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 2/20 0.59
CYP2D6 P10635 3/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
KDM4E B2RXH2 1/20 0.54
ALOX15 P16050 1/20 0.54
NR2E1 Q9Y466 1/20 0.54
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
TSHR P16473 2/20 0.53
HIF1A Q16665 1/20 0.53
RECQL P46063 1/20 0.53
SCN4A P35499 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL2021875 1.00 L3MBTL1 (0.61) L3MBTL1LMNACYP2D6ADRB2ADRB1
SCHEMBL4019175 1.00 L3MBTL1 (0.61) L3MBTL1LMNACYP2D6ADRB2ADRB1
Hydrochloric Acid SCHEMBL4925995 0.98 L3MBTL1 (0.64) L3MBTL1LMNACYP2D6ADRB2ADRB1
Hydrochloric Acid SCHEMBL6539516 0.98 L3MBTL1 (0.64) L3MBTL1LMNACYP2D6ADRB2ADRB1
SCHEMBL8823934 0.93 LTA4H (0.55) L3MBTL1LMNACYP2D6ADRB2ADRB1
SCHEMBL11127254 0.89 SMN1; SMN2 (0.61) L3MBTL1LMNAKDM4EALOX15NR2E1
SCHEMBL772498 0.89 KDM1A (0.56) L3MBTL1LMNAALOX15NR2E1MAPT
SCHEMBL267463 0.87 LMNA (0.68) L3MBTL1LMNACYP2D6ADRB2ADRB1
SCHEMBL6075106 0.86 RAB9A (0.59) L3MBTL1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL6797677 0.86 RAB9A (0.59) L3MBTL1LMNAMAPTSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053114-B2 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 US disclosed
US-6797725-B2 SUCH AS 4-METHYL-5-(2-OXO-1,2-DIHYDROINDOL-3-YLILDENEMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID FOR PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED CELLULAR DISORDERS; ANTICANCER AGENTS SUGEN, INC. 2004-09-28 US disclosed
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. 2004-09-23 US disclosed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US disclosed
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN. INC. 2003-05-29 US disclosed
WO-2002081466-A1 PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES SUGEN, INC. (US) 2002-10-17 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 (3 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR L3MBTL1 4760/4885LMNA 4054/4885CYP2D6 142/4885
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 L3MBTL1 2701/4885LMNA 2393/4885CYP2D6 1461/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 L3MBTL1 2701/4885LMNA 2393/4885CYP2D6 1461/4885

“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.