SCHEMBL21900613

SCHEMBL21900613

O=C(c1ccc(-c2ccccc2F)o1)N(Cc1ccco1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ OPRM1 P35372 6/20 0.45
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ SLC9A1 P19634 1/20 0.42
▸ PDE4B Q07343 2/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL18997443 0.96 ALDH1A1 (0.48) KMT2ACYP2C19OPRM1MAPK1ALDH1A1
SCHEMBL19002782 0.70 HTT (0.51) KMT2ACYP2C19MAPK1ALDH1A1PDE4B
SCHEMBL24827533 0.68 HTT (0.52) KMT2ACYP2C19OPRM1MAPK1ALDH1A1
SCHEMBL18997284 0.67 RIPK1 (0.51) KMT2ACYP2C19MAPK1ALDH1A1HSD17B10
SCHEMBL5842477 0.66 ALDH1A1 (0.65) KMT2AMAPK1ALDH1A1KDM4ERAB9A
SCHEMBL18997442 0.66 KMT2A (0.53) KMT2ACYP2C19OPRM1MAPK1ALDH1A1
SCHEMBL13545858 0.66 SMN1; SMN2 (0.59) KMT2ACYP2C19MAPK1ALDH1A1RAB9A
SCHEMBL12947893 0.66 KDM4E (0.59) KMT2AMAPK1ALDH1A1KDM4ERAB9A
SCHEMBL8348740 0.65 SLC9A1 (0.61) KMT2AMAPK1ALDH1A1KDM4ERAB9A
SCHEMBL29352634 0.65 SLC9A1 (0.61) KMT2AMAPK1ALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 — — US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 — — US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 — — US disclosed
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-09 — — US disclosed
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-04-23 — — 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 (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-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KMT2A 4024/4885CYP2C19 4884/4885OPRM1 4646/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885CYP2C19 4884/4885OPRM1 4646/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885CYP2C19 4884/4885OPRM1 4646/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS KMT2A 4024/4885CYP2C19 4884/4885OPRM1 4646/4885

“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.

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