SCHEMBL2804720

SCHEMBL2804720

Cn1ccnc1OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
GRM5 P41594 1/20 0.48
SLC6A3 Q01959 1/20 0.44
LMNA P02545 2/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 4/20 0.42
CYP2D6 P10635 1/20 0.42
F2 P00734 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL28386445 0.79 CHRNB2 (0.40) KMT2ASMN1; SMN2KDM4E
SCHEMBL1682004 0.75 CHRNB2 (0.40) KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6673530 0.74 CHRNB2 (0.39) KMT2ALMNATSHRMAPTSMN1; SMN2
SCHEMBL1045991 0.71 SMN1; SMN2 (0.58) KMT2ALMNATSHRMAPTCYP2D6
SCHEMBL16991360 0.70 CHRNB2 (0.40) KMT2AMAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2285950 0.70 KMT2A (0.39) KMT2ATSHRSMN1; SMN2ALDH1A1PKM
SCHEMBL31527863 0.70 CA1 (0.49) KMT2ALMNASMN1; SMN2
SCHEMBL2262194 0.70 LMNA (0.56) KMT2ASLC6A3LMNAMETAP2METAP1
SCHEMBL30320367 0.69 KMT2A (0.54) KMT2AGRM5LMNATSHRMAPT
SCHEMBL14369862 0.69 NPC1 (0.55) KMT2AGRM5LMNAHDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116448893-A Characterization method of cellulose molecular weight 中国科学院化学研究所 2023-07-18 CN claimed
US-20100239673-A1 Blood compatible nanomaterials and methods of making and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-23 US claimed
WO-2008045021-A2 BLOOD COMPATIBLE NANOMATERIALS AND METHODS OF MAKING AND USING THE SAME RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-04-17 WO claimed
CN-117561262-A Macrocyclic TAK1 inhibitors 阿奎利恩有限公司 2024-02-13 CN disclosed
CN-116448893-A Characterization method of cellulose molecular weight 中国科学院化学研究所 2023-07-18 CN disclosed
CN-116448893-A Characterization method of cellulose molecular weight 中国科学院化学研究所 2023-07-18 CN disclosed
US-20100239673-A1 Blood compatible nanomaterials and methods of making and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-23 US disclosed
WO-2008045021-A2 BLOOD COMPATIBLE NANOMATERIALS AND METHODS OF MAKING AND USING THE SAME RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-04-17 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 (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-20100239673-A1 Blood compatible nanomaterials and methods of making and using the same MB, ICAM1, F3 KMT2A 2587/4885GRM5 4569/4885SLC6A3 1973/4885

“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.