SCHEMBL21380932

SCHEMBL21380932

O=c1c[c]ccn1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
HCAR1 Q9BXC0 4/20 0.34
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CNOT7 Q9UIV1 1/20 0.32
PKM P14618 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
CREBBP Q92793 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2537840 0.98 HCAR1 (0.33) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KMT2A
SCHEMBL2538323 0.94 HCAR1 (0.33) HCAR1GLAPOLB
SCHEMBL21380873 0.80 MAPK1 (0.30)
SCHEMBL7190295 0.71 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KMT2A
SCHEMBL27935614 0.71 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KMT2A
SCHEMBL2536299 0.69 HCAR1 (0.35) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KMT2A
Hydrochloric Acid SCHEMBL30612384 0.69 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KMT2A
SCHEMBL15797759 0.68 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KMT2A
SCHEMBL15106527 0.68 DRD2 (0.36) HCAR1GLAPOLBHSD17B10
SCHEMBL4056563 0.67 POLB (0.43) ALDH1A1SMN1; SMN2CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112368272-A SHP2 inhibitor and application thereof 新标立亚医疗有限公司 2021-02-12 CN claimed
EP-3768664-A1 SHP2 INHIBITORS AND USES THEREOF Synblia Therapeutics, Inc. (US) 2021-01-27 EP claimed
WO-2019182960-A1 SHP2 INHIBITORS AND USES THEREOF SYNBLIA THERAPEUTICS, INC. (US) 2019-09-26 WO claimed
CN-112368272-B SHP2 inhibitors and uses thereof 苏州浦合医药科技有限公司 2023-04-21 CN disclosed
US-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF Suzhou Puhe BioPharma Co., Ltd. (CN) 2023-01-12 US disclosed
CN-114502165-A SHP2 inhibitor and application thereof 苏州浦合医药科技有限公司 2022-05-13 CN disclosed
WO-2021061515-A1 SHP2 INHIBITORS AND USES THEREOF SYNBLIA THERAPEUTICS, INC. (US) 2021-04-01 WO disclosed
CN-112368272-A SHP2 inhibitor and application thereof 新标立亚医疗有限公司 2021-02-12 CN disclosed
EP-3768664-A1 SHP2 INHIBITORS AND USES THEREOF Synblia Therapeutics, Inc. (US) 2021-01-27 EP disclosed
US-10561655-B2 SHP2 inhibitors and uses thereof SYNBLIA THERAPEUTICS, INC. (US) 2020-02-18 US disclosed
WO-2019182960-A1 SHP2 INHIBITORS AND USES THEREOF SYNBLIA THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
US-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF Suzhou Puhe BioPharma Co., Ltd. (CN) 2019-09-26 US 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-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 ALDH1A1 3180/4885SMN1; SMN2 3242/4885CYP2C9 4546/4885
US-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 ALDH1A1 3180/4885SMN1; SMN2 3242/4885CYP2C9 4546/4885
US-10561655-B2 SHP2 inhibitors and uses thereof PTPN1, PTPN7, PTPN18 ALDH1A1 3180/4885SMN1; SMN2 3242/4885CYP2C9 4546/4885

“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.